1-(4-chloro-3-fluorophenyl)butan-1-one

C10H10ClFO — CID 70297429

IUPAC1-(4-chloro-3-fluorophenyl)butan-1-one
SMILESCCCC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3
InChIKeyNQVZGNJMLPYJLM-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)butan-1-one

1-(4-chloro-3-fluorophenyl)butan-1-one (PubChem CID 70297429) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)butan-1-one
PubChem CID70297429
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-(4-chloro-3-fluorophenyl)butan-1-one
SMILESCCCC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3
InChIKeyNQVZGNJMLPYJLM-UHFFFAOYSA-N
XLogP3.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
1-(4-chloro-3-fluorophenyl)-5-methylhexan-1-one
CID 107996603
1-(4-chloro-3-fluorophenyl)-4-methoxybutan-1-one
CID 107996822
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
1-(4-chloro-3-fluorophenyl)-2-methylpentan-1-one
CID 107996960
(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
CID 107996346
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
4-chloro-3-fluorobenzoic acid
CID 2736536
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
butyl 4-chloro-3-fluorobenzoate
CID 107989502
1-(3-fluoro-4-methylphenyl)decan-1-one
CID 55186019
tert-butyl N-[5-(4-chloro-3-fluorophenyl)-5-oxopentyl]carbamate
CID 68756949

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)butan-1-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)butan-1-one (CID 70297429) is 1-(4-chloro-3-fluorophenyl)butan-1-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)butan-1-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)butan-1-one is CCCC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)butan-1-one?
The InChIKey is NQVZGNJMLPYJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)butan-1-one?
1-(4-chloro-3-fluorophenyl)butan-1-one has a molecular weight of 200.64 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)butan-1-one is sourced from PubChem (CID 70297429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).