2-(2,5-difluorophenyl)pentan-3-ol

C11H14F2O — CID 79299015

IUPAC2-(2,5-difluorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2O/c1-3-11(14)7(2)9-6-8(12)4-5-10(9)13/h4-7,11,14H,3H2,1-2H3
InChIKeyNNVCOEPKYOWWGA-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,5-difluorophenyl)pentan-3-ol

2-(2,5-difluorophenyl)pentan-3-ol (PubChem CID 79299015) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)pentan-3-ol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)pentan-3-ol
PubChem CID79299015
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(2,5-difluorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2O/c1-3-11(14)7(2)9-6-8(12)4-5-10(9)13/h4-7,11,14H,3H2,1-2H3
InChIKeyNNVCOEPKYOWWGA-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
2-(1-chloro-2-methylbutyl)-1,4-difluorobenzene
CID 61086565
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
3-bromo-4-(2,5-difluorophenyl)pentan-2-one
CID 64720936
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 62802583

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)pentan-3-ol?
The IUPAC name of 2-(2,5-difluorophenyl)pentan-3-ol (CID 79299015) is 2-(2,5-difluorophenyl)pentan-3-ol.
What is the SMILES notation for 2-(2,5-difluorophenyl)pentan-3-ol?
The canonical SMILES for 2-(2,5-difluorophenyl)pentan-3-ol is CCC(O)C(C)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)pentan-3-ol?
The InChIKey is NNVCOEPKYOWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-3-11(14)7(2)9-6-8(12)4-5-10(9)13/h4-7,11,14H,3H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)pentan-3-ol?
2-(2,5-difluorophenyl)pentan-3-ol has a molecular weight of 200.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)pentan-3-ol is sourced from PubChem (CID 79299015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).