1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene

C29H22F10O — CID 129159302

IUPAC1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCC1CCC(c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(/C(F)=C/C(F)(F)F)c(F)c4)c(F)c3F)cc2)CC1
InChIInChI=1S/C29H22F10O/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20-10-11-21(27(34)26(20)33)29(38,39)40-19-12-22(30)25(23(31)13-19)24(32)14-28(35,36)37/h6-16H,2-5H2,1H3/b24-14-
InChIKeyBFVXNILSJWOFMV-OYKKKHCWSA-N
MW576.47 g/mol
LogP10.20
Rot. Bonds6

About 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene

1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 129159302) has the molecular formula C29H22F10O and a molecular weight of 576.47 g/mol. Its IUPAC name is 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
PubChem CID129159302
Molecular FormulaC29H22F10O
Molecular Weight576.47 g/mol
Exact Mass576.15
IUPAC Name1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCC1CCC(c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(/C(F)=C/C(F)(F)F)c(F)c4)c(F)c3F)cc2)CC1
InChIInChI=1S/C29H22F10O/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20-10-11-21(27(34)26(20)33)29(38,39)40-19-12-22(30)25(23(31)13-19)24(32)14-28(35,36)37/h6-16H,2-5H2,1H3/b24-14-
InChIKeyBFVXNILSJWOFMV-OYKKKHCWSA-N
XLogP10.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.47
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene with MolForge

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Related Compounds

1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 129159361
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-4-[4-[4-(2-ethoxyethyl)cyclohexyl]phenyl]-2,3-difluorobenzene
CID 134222816
5-[difluoro-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene
CID 145464058
2-[4-[4-[(3,4-difluorophenoxy)-difluoromethyl]-2,3-difluorophenyl]phenyl]-5-methyl-1,3-dioxane
CID 129159549
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118592629
1-[2,3-difluoro-4-(4-propylphenyl)phenyl]-4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluorobenzene
CID 118611915
1,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]-2-(trifluoromethyl)benzene
CID 155471466
1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 135223756
5-[[4-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-fluorophenyl]-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 59329231
1-[difluoro-[3-fluoro-4-(3,4,5-trifluorocyclohexa-2,4-dien-1-yl)phenoxy]methyl]-2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 118592705
1-[[4-[(Z)-1,3-difluoroprop-1-enyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118611892
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene (CID 129159302) is 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene is CC1CCC(c2ccc(-c3ccc(C(F)(F)Oc4cc(F)c(/C(F)=C/C(F)(F)F)c(F)c4)c(F)c3F)cc2)CC1.
What is the InChIKey of 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The InChIKey is BFVXNILSJWOFMV-OYKKKHCWSA-N. The full InChI is InChI=1S/C29H22F10O/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20-10-11-21(27(34)26(20)33)29(38,39)40-19-12-22(30)25(23(31)13-19)24(32)14-28(35,36)37/h6-16H,2-5H2,1H3/b24-14-.
What are the key properties of 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene?
1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene has a molecular weight of 576.47 g/mol, XLogP of 10.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-difluoro-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]phenoxy]-difluoromethyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 129159302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).