[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine

C13H16F3N — CID 117359755

IUPAC[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
SMILESCc1cc(C2(CN)CCC2)cc(F)c1C(F)F
InChIInChI=1S/C13H16F3N/c1-8-5-9(13(7-17)3-2-4-13)6-10(14)11(8)12(15)16/h5-6,12H,2-4,7,17H2,1H3
InChIKeyKPRLJFNHNUGBEO-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.45
Rot. Bonds3

About [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine

[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine (PubChem CID 117359755) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
PubChem CID117359755
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
SMILESCc1cc(C2(CN)CCC2)cc(F)c1C(F)F
InChIInChI=1S/C13H16F3N/c1-8-5-9(13(7-17)3-2-4-13)6-10(14)11(8)12(15)16/h5-6,12H,2-4,7,17H2,1H3
InChIKeyKPRLJFNHNUGBEO-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
CID 117359794
5-[1-(aminomethyl)cyclobutyl]-2,3-difluoroaniline
CID 117113164
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270

Frequently Asked Questions

What is the IUPAC name of [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine (CID 117359755) is [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine is Cc1cc(C2(CN)CCC2)cc(F)c1C(F)F.
What is the InChIKey of [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine?
The InChIKey is KPRLJFNHNUGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8-5-9(13(7-17)3-2-4-13)6-10(14)11(8)12(15)16/h5-6,12H,2-4,7,17H2,1H3.
What are the key properties of [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine?
[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine has a molecular weight of 243.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117359755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).