1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine

C11H11F4N — CID 117337409

IUPAC1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(F)c2C(F)(F)F)CC1
InChIInChI=1S/C11H11F4N/c12-8-3-1-2-7(6-10(16)4-5-10)9(8)11(13,14)15/h1-3H,4-6,16H2
InChIKeyLRRLDKJSIKCEEO-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.88
Rot. Bonds2

About 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine

1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117337409) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117337409
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2cccc(F)c2C(F)(F)F)CC1
InChIInChI=1S/C11H11F4N/c12-8-3-1-2-7(6-10(16)4-5-10)9(8)11(13,14)15/h1-3H,4-6,16H2
InChIKeyLRRLDKJSIKCEEO-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 84674830
1-[(2-fluorophenyl)methyl]cyclooctan-1-amine
CID 80603906
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117298129
1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 112653239
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 63408034
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
1-fluoro-3-(isocyanatomethyl)-2-(trifluoromethyl)benzene
CID 117311684
2-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 117333690
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 117409349

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine (CID 117337409) is 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2cccc(F)c2C(F)(F)F)CC1.
What is the InChIKey of 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is LRRLDKJSIKCEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-8-3-1-2-7(6-10(16)4-5-10)9(8)11(13,14)15/h1-3H,4-6,16H2.
What are the key properties of 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 233.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117337409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).