2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene

C22H28F4O — CID 165341497

IUPAC2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H28F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)27-22(24,25)26/h10,12-17H,2-9,11H2,1H3
InChIKeyWGKVWOHUIRWTLX-UHFFFAOYSA-N
MW384.46 g/mol
LogP7.51
Rot. Bonds5

About 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene

2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene (PubChem CID 165341497) has the molecular formula C22H28F4O and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
PubChem CID165341497
Molecular FormulaC22H28F4O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H28F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)27-22(24,25)26/h10,12-17H,2-9,11H2,1H3
InChIKeyWGKVWOHUIRWTLX-UHFFFAOYSA-N
XLogP7.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 601618
1,2,3-trifluoro-5-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 86326322
1-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 70499884
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1,2-difluorobenzene
CID 102396639
2-[4-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]cyclohex-3-en-1-yl]-5-propyloxane
CID 155125121
1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-4-(trifluoromethyl)benzene
CID 126551449
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethyl)benzene
CID 139779196
2-fluoro-1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 70498877
4-[4-(4-dodecylcyclohexyl)cyclohexen-1-yl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139779202
1-ethyl-2,3-difluoro-4-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 67738525
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-methoxybenzene
CID 67739436
4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-1-fluoro-2-(trifluoromethyl)benzene
CID 139779201

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene (CID 165341497) is 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene is CCCC1CCC(C2CC=C(c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene?
The InChIKey is WGKVWOHUIRWTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(23)14-19)27-22(24,25)26/h10,12-17H,2-9,11H2,1H3.
What are the key properties of 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene?
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene has a molecular weight of 384.46 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 165341497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).