3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline

C16H14ClF2N — CID 43634997

IUPAC3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESFc1cccc(C2CC(Nc3cccc(Cl)c3F)C2)c1
InChIInChI=1S/C16H14ClF2N/c17-14-5-2-6-15(16(14)19)20-13-8-11(9-13)10-3-1-4-12(18)7-10/h1-7,11,13,20H,8-9H2
InChIKeyGWNHQKQBMCWJGP-UHFFFAOYSA-N
MW293.74 g/mol
LogP4.98
Rot. Bonds3

About 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline

3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline (PubChem CID 43634997) has the molecular formula C16H14ClF2N and a molecular weight of 293.74 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
PubChem CID43634997
Molecular FormulaC16H14ClF2N
Molecular Weight293.74 g/mol
Exact Mass293.08
IUPAC Name3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESFc1cccc(C2CC(Nc3cccc(Cl)c3F)C2)c1
InChIInChI=1S/C16H14ClF2N/c17-14-5-2-6-15(16(14)19)20-13-8-11(9-13)10-3-1-4-12(18)7-10/h1-7,11,13,20H,8-9H2
InChIKeyGWNHQKQBMCWJGP-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 103478342
2,4,5-trichloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633053
2-chloro-5-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 107527502
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635005
2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
CID 43635194
2,4-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43683227
2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43736844
N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
CID 43687441
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The IUPAC name of 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline (CID 43634997) is 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline is Fc1cccc(C2CC(Nc3cccc(Cl)c3F)C2)c1.
What is the InChIKey of 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The InChIKey is GWNHQKQBMCWJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N/c17-14-5-2-6-15(16(14)19)20-13-8-11(9-13)10-3-1-4-12(18)7-10/h1-7,11,13,20H,8-9H2.
What are the key properties of 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline has a molecular weight of 293.74 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 43634997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).