1-(4-chloro-2-fluorophenyl)butan-2-ol

C10H12ClFO — CID 114852176

IUPAC1-(4-chloro-2-fluorophenyl)butan-2-ol
SMILESCCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3
InChIKeyCEFYOCKBNKRLBR-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)butan-2-ol

1-(4-chloro-2-fluorophenyl)butan-2-ol (PubChem CID 114852176) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)butan-2-ol
PubChem CID114852176
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-(4-chloro-2-fluorophenyl)butan-2-ol
SMILESCCC(O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H12ClFO/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6,9,13H,2,5H2,1H3
InChIKeyCEFYOCKBNKRLBR-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2-amino-4-chlorophenyl)butan-2-ol
CID 67017142
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(4-chloro-2-fluorophenyl)-4-ethylsulfanylbutan-2-ol
CID 114852759
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
1-(4-chloro-2-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 114854652
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105132898
1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 114854587
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)butan-2-ol (CID 114852176) is 1-(4-chloro-2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)butan-2-ol is CCC(O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)butan-2-ol?
The InChIKey is CEFYOCKBNKRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/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-(4-chloro-2-fluorophenyl)butan-2-ol?
1-(4-chloro-2-fluorophenyl)butan-2-ol has a molecular weight of 202.66 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 114852176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).