1-(2,3-difluorophenyl)-4-methylpentan-2-ol

C12H16F2O — CID 62606503

IUPAC1-(2,3-difluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cc1cccc(F)c1F
InChIInChI=1S/C12H16F2O/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-5,8,10,15H,6-7H2,1-2H3
InChIKeyXKTOGMYXHIWDKN-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.91
Rot. Bonds4

About 1-(2,3-difluorophenyl)-4-methylpentan-2-ol

1-(2,3-difluorophenyl)-4-methylpentan-2-ol (PubChem CID 62606503) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-4-methylpentan-2-ol
PubChem CID62606503
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1-(2,3-difluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cc1cccc(F)c1F
InChIInChI=1S/C12H16F2O/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-5,8,10,15H,6-7H2,1-2H3
InChIKeyXKTOGMYXHIWDKN-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-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2,3-difluorophenyl)-4,4-dimethylpentan-2-ol
CID 63891069
1-(3-chloro-2-fluorophenyl)-4,6-dimethylheptan-2-ol
CID 114200749
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
1-(2,3-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166460
1-(2,3-difluorophenyl)-3-(3-fluorophenyl)propan-2-ol
CID 55095181
1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 63834393
1-(2,3-difluorophenyl)-4-methylpent-3-en-2-ol
CID 115817051

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-4-methylpentan-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-4-methylpentan-2-ol (CID 62606503) is 1-(2,3-difluorophenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-4-methylpentan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-4-methylpentan-2-ol is CC(C)CC(O)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-4-methylpentan-2-ol?
The InChIKey is XKTOGMYXHIWDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(2)6-10(15)7-9-4-3-5-11(13)12(9)14/h3-5,8,10,15H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-4-methylpentan-2-ol?
1-(2,3-difluorophenyl)-4-methylpentan-2-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-(2,3-difluorophenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 62606503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).