1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine

C11H12F3N — CID 117306416

IUPAC1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(CF)cc(F)c2F)CC1
InChIInChI=1S/C11H12F3N/c12-6-7-3-8(5-11(15)1-2-11)10(14)9(13)4-7/h3-4H,1-2,5-6,15H2
InChIKeyYNUSQMISMRBWIJ-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.47
Rot. Bonds3

About 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine

1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117306416) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117306416
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(CF)cc(F)c2F)CC1
InChIInChI=1S/C11H12F3N/c12-6-7-3-8(5-11(15)1-2-11)10(14)9(13)4-7/h3-4H,1-2,5-6,15H2
InChIKeyYNUSQMISMRBWIJ-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 117116150
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
[1-[2,3-difluoro-5-(fluoromethyl)phenyl]cyclobutyl]methanamine
CID 117330241
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
CID 23325936
1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
CID 117310192
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 117409349
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446809
2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512
5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
CID 117285265

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine (CID 117306416) is 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2cc(CF)cc(F)c2F)CC1.
What is the InChIKey of 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is YNUSQMISMRBWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-6-7-3-8(5-11(15)1-2-11)10(14)9(13)4-7/h3-4H,1-2,5-6,15H2.
What are the key properties of 1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.47, 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]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117306416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).