2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline

C15H13ClF3N — CID 114830635

IUPAC2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H13ClF3N/c1-9(5-10-3-2-4-11(17)6-10)20-15-13(16)7-12(18)8-14(15)19/h2-4,6-9,20H,5H2,1H3
InChIKeyOQCSWCWAIBORKC-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.80
Rot. Bonds4

About 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline

2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline (PubChem CID 114830635) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
PubChem CID114830635
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H13ClF3N/c1-9(5-10-3-2-4-11(17)6-10)20-15-13(16)7-12(18)8-14(15)19/h2-4,6-9,20H,5H2,1H3
InChIKeyOQCSWCWAIBORKC-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4,6-difluoro-N-[4-(3-methylphenyl)butan-2-yl]aniline
CID 83073633
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
2-chloro-4,6-difluoro-N-(1-methoxypropan-2-yl)aniline
CID 83082122
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495
3-chloro-4-[1-(3-fluorophenyl)propan-2-ylamino]benzonitrile
CID 107807511
2-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
2-chloro-4,6-difluoro-N-nonan-2-ylaniline
CID 83081084
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline (CID 114830635) is 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline is CC(Cc1cccc(F)c1)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The InChIKey is OQCSWCWAIBORKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-9(5-10-3-2-4-11(17)6-10)20-15-13(16)7-12(18)8-14(15)19/h2-4,6-9,20H,5H2,1H3.
What are the key properties of 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline has a molecular weight of 299.72 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114830635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).