2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine

C14H21ClFNO — CID 143606922

IUPAC2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine
SMILESCCC(=O)C(C)c1ccc(Cl)cc1F.CCNC
InChIInChI=1S/C11H12ClFO.C3H9N/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13;1-3-4-2/h4-7H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyKNIKAVPVMNJFSQ-UHFFFAOYSA-N
MW273.78 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine

2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine (PubChem CID 143606922) has the molecular formula C14H21ClFNO and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine
PubChem CID143606922
Molecular FormulaC14H21ClFNO
Molecular Weight273.78 g/mol
Exact Mass273.13
IUPAC Name2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine
SMILESCCC(=O)C(C)c1ccc(Cl)cc1F.CCNC
InChIInChI=1S/C11H12ClFO.C3H9N/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13;1-3-4-2/h4-7H,3H2,1-2H3;4H,3H2,1-2H3
InChIKeyKNIKAVPVMNJFSQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-nitrophenyl)pentan-3-one
CID 63549818
2-(5-bromo-2-fluorophenyl)pentan-3-one
CID 82973911
3-(4-chloro-2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 81015779
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
2-(5-chloro-3-fluoro-2-pyridinyl)pentan-3-one
CID 79734363
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
2-(butan-2-ylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843756
2-(3,4-difluorophenyl)pentan-3-one
CID 79307864
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine (CID 143606922) is 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine is CCC(=O)C(C)c1ccc(Cl)cc1F.CCNC.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine?
The InChIKey is KNIKAVPVMNJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO.C3H9N/c1-3-11(14)7(2)9-5-4-8(12)6-10(9)13;1-3-4-2/h4-7H,3H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine?
2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine has a molecular weight of 273.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)pentan-3-one;N-methylethanamine is sourced from PubChem (CID 143606922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).