[5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol

C15H12BrF3O — CID 138965301

IUPAC[5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol
SMILESCC(F)(F)c1cc(F)c(C(O)c2ccccc2)cc1Br
InChIInChI=1S/C15H12BrF3O/c1-15(18,19)11-8-13(17)10(7-12(11)16)14(20)9-5-3-2-4-6-9/h2-8,14,20H,1H3
InChIKeyVHTWSKLMSAOKTO-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.78
Rot. Bonds3

About [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol

[5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol (PubChem CID 138965301) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol.

Molecular Properties

Compound Name[5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol
PubChem CID138965301
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name[5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol
SMILESCC(F)(F)c1cc(F)c(C(O)c2ccccc2)cc1Br
InChIInChI=1S/C15H12BrF3O/c1-15(18,19)11-8-13(17)10(7-12(11)16)14(20)9-5-3-2-4-6-9/h2-8,14,20H,1H3
InChIKeyVHTWSKLMSAOKTO-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(Trifluoromethyl)benzhydrol
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1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
(R)-1-(2-bromophenyl)ethanol
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(1R)-1-(3-bromophenyl)ethan-1-ol
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1-(2-Bromophenyl)ethan-1-ol
CID 6950331
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261
2-Bromo-alpha-phenylbenzenemethanol
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1-(4-Bromophenyl)-2-phenylethan-1-ol
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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol?
The IUPAC name of [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol (CID 138965301) is [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol.
What is the SMILES notation for [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol?
The canonical SMILES for [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol is CC(F)(F)c1cc(F)c(C(O)c2ccccc2)cc1Br.
What is the InChIKey of [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol?
The InChIKey is VHTWSKLMSAOKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-15(18,19)11-8-13(17)10(7-12(11)16)14(20)9-5-3-2-4-6-9/h2-8,14,20H,1H3.
What are the key properties of [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol?
[5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol has a molecular weight of 345.16 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(1,1-difluoroethyl)-2-fluorophenyl]-phenylmethanol is sourced from PubChem (CID 138965301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).