[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol

C9H7F5O2 — CID 79888258

IUPAC[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1cc(F)c(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C9H7F5O2/c10-6-1-5(3-15)2-7(11)8(6)16-4-9(12,13)14/h1-2,15H,3-4H2
InChIKeyMXROXCDUZHDLCH-UHFFFAOYSA-N
MW242.14 g/mol
LogP2.40
Rot. Bonds3

About [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol

[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 79888258) has the molecular formula C9H7F5O2 and a molecular weight of 242.14 g/mol. Its IUPAC name is [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID79888258
Molecular FormulaC9H7F5O2
Molecular Weight242.14 g/mol
Exact Mass242.04
IUPAC Name[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1cc(F)c(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C9H7F5O2/c10-6-1-5(3-15)2-7(11)8(6)16-4-9(12,13)14/h1-2,15H,3-4H2
InChIKeyMXROXCDUZHDLCH-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 79887799
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
[4-(2-bromoprop-2-enoxy)-3,5-difluorophenyl]methanol
CID 79887877
[3-fluoro-4-(2,2,2-trifluoroethoxymethoxy)phenyl]methanol
CID 107690662
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79888639
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
1,3-difluoro-5-(4-pent-3-enylphenyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 139764142
[4-[(3-chloro-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanol
CID 103038387
[3-ethenyl-5-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 164915273
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
CID 106929822

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 79888258) is [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol is OCc1cc(F)c(OCC(F)(F)F)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is MXROXCDUZHDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O2/c10-6-1-5(3-15)2-7(11)8(6)16-4-9(12,13)14/h1-2,15H,3-4H2.
What are the key properties of [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol?
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 242.14 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 79888258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).