1-(2,4-difluorophenyl)butan-2-ol

C10H12F2O — CID 23056492

IUPAC1-(2,4-difluorophenyl)butan-2-ol
SMILESCCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C10H12F2O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3
InChIKeyYYEXOBWXMCDDFU-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.28
Rot. Bonds3

About 1-(2,4-difluorophenyl)butan-2-ol

1-(2,4-difluorophenyl)butan-2-ol (PubChem CID 23056492) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)butan-2-ol
PubChem CID23056492
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-(2,4-difluorophenyl)butan-2-ol
SMILESCCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C10H12F2O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3
InChIKeyYYEXOBWXMCDDFU-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
CID 94371784
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1-(2,4-difluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920034
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(3-chloro-2-ethylbutyl)-2,4-difluorobenzene
CID 63461285
1-(2,4-difluorophenyl)butan-2-ylhydrazine
CID 105201098
1-(2,4-difluorophenyl)hept-6-en-2-ol
CID 64561193

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)butan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)butan-2-ol (CID 23056492) is 1-(2,4-difluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)butan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)butan-2-ol is CCC(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)butan-2-ol?
The InChIKey is YYEXOBWXMCDDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)butan-2-ol?
1-(2,4-difluorophenyl)butan-2-ol has a molecular weight of 186.20 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)butan-2-ol is sourced from PubChem (CID 23056492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).