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

C12H16F2O — CID 105407726

IUPAC1-(3,5-difluorophenyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-3-12(15)8(2)4-9-5-10(13)7-11(14)6-9/h5-8,12,15H,3-4H2,1-2H3
InChIKeyIRWUIAZBYHHAGZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.91
Rot. Bonds4

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

1-(3,5-difluorophenyl)-2-methylpentan-3-ol (PubChem CID 105407726) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-methylpentan-3-ol
PubChem CID105407726
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1-(3,5-difluorophenyl)-2-methylpentan-3-ol
SMILESCCC(O)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-3-12(15)8(2)4-9-5-10(13)7-11(14)6-9/h5-8,12,15H,3-4H2,1-2H3
InChIKeyIRWUIAZBYHHAGZ-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
1-(3,5-difluorophenyl)-2-methylpentan-3-amine
CID 105404557
4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
1-(3,5-difluorophenyl)hexane-2,3-diol
CID 103454783
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
CID 130224243
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-methylpentan-3-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-2-methylpentan-3-ol (CID 105407726) is 1-(3,5-difluorophenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-methylpentan-3-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-methylpentan-3-ol is CCC(O)C(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-methylpentan-3-ol?
The InChIKey is IRWUIAZBYHHAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-3-12(15)8(2)4-9-5-10(13)7-11(14)6-9/h5-8,12,15H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-methylpentan-3-ol?
1-(3,5-difluorophenyl)-2-methylpentan-3-ol has a molecular weight of 214.25 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 105407726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).