[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine

C12H14F3N — CID 117330241

IUPAC[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cc(CF)cc(F)c2F)CCC1
InChIInChI=1S/C12H14F3N/c13-6-8-4-9(11(15)10(14)5-8)12(7-16)2-1-3-12/h4-5H,1-3,6-7,16H2
InChIKeyQTXDLPJOOYGUAI-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.81
Rot. Bonds3

About [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine

[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117330241) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID117330241
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
SMILESNCC1(c2cc(CF)cc(F)c2F)CCC1
InChIInChI=1S/C12H14F3N/c13-6-8-4-9(11(15)10(14)5-8)12(7-16)2-1-3-12/h4-5H,1-3,6-7,16H2
InChIKeyQTXDLPJOOYGUAI-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
CID 117369663
[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117351296
[1-[2-chloro-4-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117327861
[1-(5-ethyl-2-fluorophenyl)cyclobutyl]methanamine
CID 117296578
[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine
CID 117431183
1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117306416
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551

Frequently Asked Questions

What is the IUPAC name of [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine (CID 117330241) is [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine is NCC1(c2cc(CF)cc(F)c2F)CCC1.
What is the InChIKey of [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is QTXDLPJOOYGUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-6-8-4-9(11(15)10(14)5-8)12(7-16)2-1-3-12/h4-5H,1-3,6-7,16H2.
What are the key properties of [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine?
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 229.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117330241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).