4-(2,6-difluoro-3-methylphenyl)butan-2-ol

C11H14F2O — CID 82822175

IUPAC4-(2,6-difluoro-3-methylphenyl)butan-2-ol
SMILESCc1ccc(F)c(CCC(C)O)c1F
InChIInChI=1S/C11H14F2O/c1-7-3-6-10(12)9(11(7)13)5-4-8(2)14/h3,6,8,14H,4-5H2,1-2H3
InChIKeyMCGFWORJCTYWSX-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.59
Rot. Bonds3

About 4-(2,6-difluoro-3-methylphenyl)butan-2-ol

4-(2,6-difluoro-3-methylphenyl)butan-2-ol (PubChem CID 82822175) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)butan-2-ol
PubChem CID82822175
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-(2,6-difluoro-3-methylphenyl)butan-2-ol
SMILESCc1ccc(F)c(CCC(C)O)c1F
InChIInChI=1S/C11H14F2O/c1-7-3-6-10(12)9(11(7)13)5-4-8(2)14/h3,6,8,14H,4-5H2,1-2H3
InChIKeyMCGFWORJCTYWSX-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromobutyl)-1,3-difluoro-4-methylbenzene
CID 82822177
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
2-(3-bromopropyl)-1,3-difluoro-4-methylbenzene
CID 82822097
4-[(3-bromo-2,6-difluorophenyl)methylamino]butan-2-ol
CID 106263499
4-(2-fluorophenyl)butan-2-ol
CID 12618518
(2S)-4-[(2,6-difluorophenyl)methylamino]butan-2-ol
CID 96500088
N-[(2,6-difluoro-3-methylphenyl)methyl]butan-2-amine
CID 82814305
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol
CID 117305527
6-(3-bromo-2,6-difluorophenyl)-2,2-dimethylhexan-3-ol
CID 106273091
4-(3-bromo-2,6-difluorophenyl)-2-methylbutanoic acid
CID 106273954
N-[(2,6-difluoro-3-methylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405301

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)butan-2-ol?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)butan-2-ol (CID 82822175) is 4-(2,6-difluoro-3-methylphenyl)butan-2-ol.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)butan-2-ol?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)butan-2-ol is Cc1ccc(F)c(CCC(C)O)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)butan-2-ol?
The InChIKey is MCGFWORJCTYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7-3-6-10(12)9(11(7)13)5-4-8(2)14/h3,6,8,14H,4-5H2,1-2H3.
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)butan-2-ol?
4-(2,6-difluoro-3-methylphenyl)butan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 82822175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).