(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol

C13H7F5O — CID 62965110

IUPAC(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F5O/c14-8-3-1-6(5-10(8)16)13(19)7-2-4-9(15)12(18)11(7)17/h1-5,13,19H
InChIKeyQGLOCCVZNZGCBC-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.46
Rot. Bonds2

About (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol

(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 62965110) has the molecular formula C13H7F5O and a molecular weight of 274.19 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID62965110
Molecular FormulaC13H7F5O
Molecular Weight274.19 g/mol
Exact Mass274.04
IUPAC Name(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F5O/c14-8-3-1-6(5-10(8)16)13(19)7-2-4-9(15)12(18)11(7)17/h1-5,13,19H
InChIKeyQGLOCCVZNZGCBC-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
CID 79755380
(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
CID 103216802
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982
(4-ethylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 106848363
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(4-chloro-3-fluorophenyl)-(2,3-difluorophenyl)methanol
CID 63988180
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol (CID 62965110) is (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is QGLOCCVZNZGCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5O/c14-8-3-1-6(5-10(8)16)13(19)7-2-4-9(15)12(18)11(7)17/h1-5,13,19H.
What are the key properties of (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol?
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 274.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 62965110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).