1-(2,5-difluorophenyl)-3-methylbutan-1-ol

C11H14F2O — CID 61100112

IUPAC1-(2,5-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2O/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3
InChIKeyJCYOWORSHRSTRC-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.04
Rot. Bonds3

About 1-(2,5-difluorophenyl)-3-methylbutan-1-ol

1-(2,5-difluorophenyl)-3-methylbutan-1-ol (PubChem CID 61100112) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-methylbutan-1-ol
PubChem CID61100112
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(2,5-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2O/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3
InChIKeyJCYOWORSHRSTRC-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2,5-difluorophenyl)butan-1-ol
CID 175109770

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-methylbutan-1-ol (CID 61100112) is 1-(2,5-difluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-methylbutan-1-ol is CC(C)CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The InChIKey is JCYOWORSHRSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
1-(2,5-difluorophenyl)-3-methylbutan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 61100112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).