4-(3-chloro-4-fluorophenyl)butan-2-ol

C10H12ClFO — CID 81155658

IUPAC4-(3-chloro-4-fluorophenyl)butan-2-ol
SMILESCC(O)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-7(13)2-3-8-4-5-10(12)9(11)6-8/h4-7,13H,2-3H2,1H3
InChIKeyKIPPIVBKZFTJNB-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.79
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)butan-2-ol

4-(3-chloro-4-fluorophenyl)butan-2-ol (PubChem CID 81155658) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)butan-2-ol
PubChem CID81155658
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name4-(3-chloro-4-fluorophenyl)butan-2-ol
SMILESCC(O)CCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-7(13)2-3-8-4-5-10(12)9(11)6-8/h4-7,13H,2-3H2,1H3
InChIKeyKIPPIVBKZFTJNB-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)butan-2-ol?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)butan-2-ol (CID 81155658) is 4-(3-chloro-4-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)butan-2-ol is CC(O)CCc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)butan-2-ol?
The InChIKey is KIPPIVBKZFTJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-7(13)2-3-8-4-5-10(12)9(11)6-8/h4-7,13H,2-3H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)butan-2-ol?
4-(3-chloro-4-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 4-(3-chloro-4-fluorophenyl)butan-2-ol is sourced from PubChem (CID 81155658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).