1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene

C23H15F9O — CID 118601253

IUPAC1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C23H15F9O/c1-2-3-12-4-6-14(7-5-12)23(31,32)33-18-9-8-15(20(26)21(18)27)13-10-16(24)19(17(25)11-13)22(28,29)30/h4-11H,2-3H2,1H3
InChIKeyMBMUYLPCGGLACW-UHFFFAOYSA-N
MW478.35 g/mol
LogP8.01
Rot. Bonds6

About 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene

1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene (PubChem CID 118601253) has the molecular formula C23H15F9O and a molecular weight of 478.35 g/mol. Its IUPAC name is 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
PubChem CID118601253
Molecular FormulaC23H15F9O
Molecular Weight478.35 g/mol
Exact Mass478.10
IUPAC Name1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2F)cc1
InChIInChI=1S/C23H15F9O/c1-2-3-12-4-6-14(7-5-12)23(31,32)33-18-9-8-15(20(26)21(18)27)13-10-16(24)19(17(25)11-13)22(28,29)30/h4-11H,2-3H2,1H3
InChIKeyMBMUYLPCGGLACW-UHFFFAOYSA-N
XLogP8.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-but-3-enylphenyl)-difluoromethoxy]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118601260
3-[difluoro-[4-(4-propylphenyl)phenyl]methoxy]-1,2,8-trifluoro-7-[4-(3,4,5-trifluorophenyl)phenyl]naphthalene
CID 118894722
1-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenyl]-difluoromethoxy]-3-fluorophenyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 118603340
2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 58471577
2-[difluoro-(4-propylphenyl)methoxy]-7-ethoxy-1,8,9,9,10,10-hexafluorophenanthrene
CID 88552783
1-[3-[3,5-difluoro-4-(trifluoromethyl)phenoxy]-3,3-difluoropropyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118858470
1-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]phenyl]-2,3-difluoro-4-(4-methylphenyl)benzene
CID 135223713
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
5-(4-butylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene
CID 89475895
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159111708
1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 135223702

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene (CID 118601253) is 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene is CCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2F)cc1.
What is the InChIKey of 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
The InChIKey is MBMUYLPCGGLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F9O/c1-2-3-12-4-6-14(7-5-12)23(31,32)33-18-9-8-15(20(26)21(18)27)13-10-16(24)19(17(25)11-13)22(28,29)30/h4-11H,2-3H2,1H3.
What are the key properties of 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene has a molecular weight of 478.35 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-propylphenyl)methoxy]-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 118601253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).