(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone

C16H14ClFO — CID 107996346

IUPAC(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H14ClFO/c1-2-3-11-4-6-12(7-5-11)16(19)13-8-9-14(17)15(18)10-13/h4-10H,2-3H2,1H3
InChIKeyZWHJQQFNERIKLM-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.66
Rot. Bonds4

About (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone

(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone (PubChem CID 107996346) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
PubChem CID107996346
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H14ClFO/c1-2-3-11-4-6-12(7-5-11)16(19)13-8-9-14(17)15(18)10-13/h4-10H,2-3H2,1H3
InChIKeyZWHJQQFNERIKLM-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)butan-1-one
CID 70297429
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
1-(4-chloro-3-fluorophenyl)-2-methylpentan-1-one
CID 107996960
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
4-chloro-3-fluorobenzoic acid
CID 2736536
2-(2-chloro-6-fluorophenoxy)-1-(4-propylphenyl)ethanone
CID 83052607

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone (CID 107996346) is (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone?
The InChIKey is ZWHJQQFNERIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-2-3-11-4-6-12(7-5-11)16(19)13-8-9-14(17)15(18)10-13/h4-10H,2-3H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone?
(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone has a molecular weight of 276.74 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 107996346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).