[4-(difluoromethyl)-2,6-difluorophenyl]methanol

C8H6F4O — CID 131189605

IUPAC[4-(difluoromethyl)-2,6-difluorophenyl]methanol
SMILESOCc1c(F)cc(C(F)F)cc1F
InChIInChI=1S/C8H6F4O/c9-6-1-4(8(11)12)2-7(10)5(6)3-13/h1-2,8,13H,3H2
InChIKeyAPUSHCPLMCKERR-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.39
Rot. Bonds2

About [4-(difluoromethyl)-2,6-difluorophenyl]methanol

[4-(difluoromethyl)-2,6-difluorophenyl]methanol (PubChem CID 131189605) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is [4-(difluoromethyl)-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2,6-difluorophenyl]methanol
PubChem CID131189605
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name[4-(difluoromethyl)-2,6-difluorophenyl]methanol
SMILESOCc1c(F)cc(C(F)F)cc1F
InChIInChI=1S/C8H6F4O/c9-6-1-4(8(11)12)2-7(10)5(6)3-13/h1-2,8,13H,3H2
InChIKeyAPUSHCPLMCKERR-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2,6-difluorophenyl]methanol?
The IUPAC name of [4-(difluoromethyl)-2,6-difluorophenyl]methanol (CID 131189605) is [4-(difluoromethyl)-2,6-difluorophenyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2,6-difluorophenyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2,6-difluorophenyl]methanol is OCc1c(F)cc(C(F)F)cc1F.
What is the InChIKey of [4-(difluoromethyl)-2,6-difluorophenyl]methanol?
The InChIKey is APUSHCPLMCKERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c9-6-1-4(8(11)12)2-7(10)5(6)3-13/h1-2,8,13H,3H2.
What are the key properties of [4-(difluoromethyl)-2,6-difluorophenyl]methanol?
[4-(difluoromethyl)-2,6-difluorophenyl]methanol has a molecular weight of 194.13 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2,6-difluorophenyl]methanol is sourced from PubChem (CID 131189605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).