[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol

C14H9F5O2 — CID 71240983

IUPAC[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(F)c(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H9F5O2/c15-11-3-2-9(6-12(11)16)21-13-4-1-8(7-20)5-10(13)14(17,18)19/h1-6,20H,7H2
InChIKeyVWVUPAOYINJZET-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.27
Rot. Bonds3

About [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol

[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol (PubChem CID 71240983) has the molecular formula C14H9F5O2 and a molecular weight of 304.21 g/mol. Its IUPAC name is [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
PubChem CID71240983
Molecular FormulaC14H9F5O2
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(F)c(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C14H9F5O2/c15-11-3-2-9(6-12(11)16)21-13-4-1-8(7-20)5-10(13)14(17,18)19/h1-6,20H,7H2
InChIKeyVWVUPAOYINJZET-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
CID 122695284
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
CID 116793015
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431
[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 65201220
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
(3,4-difluorophenyl)methanol
CID 522833
[4-(hydroxymethyl)-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533131
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol (CID 71240983) is [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol is OCc1ccc(Oc2ccc(F)c(F)c2)c(C(F)(F)F)c1.
What is the InChIKey of [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is VWVUPAOYINJZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2/c15-11-3-2-9(6-12(11)16)21-13-4-1-8(7-20)5-10(13)14(17,18)19/h1-6,20H,7H2.
What are the key properties of [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol?
[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 304.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 71240983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).