(2-tert-butyl-3,5-difluorophenyl)methanol

C11H14F2O — CID 166835720

IUPAC(2-tert-butyl-3,5-difluorophenyl)methanol
SMILESCC(C)(C)c1c(F)cc(F)cc1CO
InChIInChI=1S/C11H14F2O/c1-11(2,3)10-7(6-14)4-8(12)5-9(10)13/h4-5,14H,6H2,1-3H3
InChIKeyVOGXAAGFMRQXMT-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.75
Rot. Bonds1

About (2-tert-butyl-3,5-difluorophenyl)methanol

(2-tert-butyl-3,5-difluorophenyl)methanol (PubChem CID 166835720) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is (2-tert-butyl-3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-3,5-difluorophenyl)methanol
PubChem CID166835720
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2-tert-butyl-3,5-difluorophenyl)methanol
SMILESCC(C)(C)c1c(F)cc(F)cc1CO
InChIInChI=1S/C11H14F2O/c1-11(2,3)10-7(6-14)4-8(12)5-9(10)13/h4-5,14H,6H2,1-3H3
InChIKeyVOGXAAGFMRQXMT-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
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[2-(bromomethyl)-3,5-difluorophenyl]methanol
CID 22121420
(2-tert-butyl-6-fluoro-1H-indol-4-yl)methanol
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2-methyl-2-(2,4,6-trifluorophenyl)propan-1-amine
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4-hydroxy-2-methyl-2-(2,4,6-trifluorophenyl)butanoic acid
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(2-tert-butyl-5-chloro-3-fluoro-6-methylphenyl)methanol
CID 166835677
2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
CID 83402908
[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol
CID 131300791
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
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(3,5-difluoro-2-hexoxyphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3,5-difluorophenyl)methanol?
The IUPAC name of (2-tert-butyl-3,5-difluorophenyl)methanol (CID 166835720) is (2-tert-butyl-3,5-difluorophenyl)methanol.
What is the SMILES notation for (2-tert-butyl-3,5-difluorophenyl)methanol?
The canonical SMILES for (2-tert-butyl-3,5-difluorophenyl)methanol is CC(C)(C)c1c(F)cc(F)cc1CO.
What is the InChIKey of (2-tert-butyl-3,5-difluorophenyl)methanol?
The InChIKey is VOGXAAGFMRQXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-11(2,3)10-7(6-14)4-8(12)5-9(10)13/h4-5,14H,6H2,1-3H3.
What are the key properties of (2-tert-butyl-3,5-difluorophenyl)methanol?
(2-tert-butyl-3,5-difluorophenyl)methanol has a molecular weight of 200.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3,5-difluorophenyl)methanol is sourced from PubChem (CID 166835720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).