[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine

C12H13F4N — CID 117369663

IUPAC[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
SMILESNCC1(c2cc(C(F)F)cc(F)c2F)CCC1
InChIInChI=1S/C12H13F4N/c13-9-5-7(11(15)16)4-8(10(9)14)12(6-17)2-1-3-12/h4-5,11H,1-3,6,17H2
InChIKeyASSCVPQGQSUAPW-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.28
Rot. Bonds3

About [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine

[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine (PubChem CID 117369663) has the molecular formula C12H13F4N and a molecular weight of 247.23 g/mol. Its IUPAC name is [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
PubChem CID117369663
Molecular FormulaC12H13F4N
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine
SMILESNCC1(c2cc(C(F)F)cc(F)c2F)CCC1
InChIInChI=1S/C12H13F4N/c13-9-5-7(11(15)16)4-8(10(9)14)12(6-17)2-1-3-12/h4-5,11H,1-3,6,17H2
InChIKeyASSCVPQGQSUAPW-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117351296
[1-[2,3-difluoro-5-(1-fluoroethyl)phenyl]cyclohexyl]methanamine
CID 117431183
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117330241
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
[1-[3-(difluoromethyl)phenyl]cyclobutyl]methanamine
CID 117301607
[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
CID 117426300
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271
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-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647

Frequently Asked Questions

What is the IUPAC name of [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine (CID 117369663) is [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine is NCC1(c2cc(C(F)F)cc(F)c2F)CCC1.
What is the InChIKey of [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine?
The InChIKey is ASSCVPQGQSUAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N/c13-9-5-7(11(15)16)4-8(10(9)14)12(6-17)2-1-3-12/h4-5,11H,1-3,6,17H2.
What are the key properties of [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine?
[1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine has a molecular weight of 247.23 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(difluoromethyl)-2,3-difluorophenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117369663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).