3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine

C13H14F3N — CID 79880647

IUPAC3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine
SMILESNC1CCC(=Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H14F3N/c14-13(15,16)11-3-1-2-9(7-11)6-10-4-5-12(17)8-10/h1-3,6-7,12H,4-5,8,17H2
InChIKeyNIYVSGCKYCBKFF-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.60
Rot. Bonds1

About 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine

3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine (PubChem CID 79880647) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine
PubChem CID79880647
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine
SMILESNC1CCC(=Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H14F3N/c14-13(15,16)11-3-1-2-9(7-11)6-10-4-5-12(17)8-10/h1-3,6-7,12H,4-5,8,17H2
InChIKeyNIYVSGCKYCBKFF-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
CID 89386202
1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
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3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
CID 79880639
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131605067
(2Z,6E)-4-methyl-2,6-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one
CID 2329911
3-[[(3S,4S)-4-[(dimethylamino)methyl]-3-[3-(trifluoromethyl)phenyl]cyclohexylidene]methyl]benzoic acid
CID 91191402
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
(E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine
CID 110192069
4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 112562450
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
(5-oxopyrrolidin-2-yl)methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 78841437

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine (CID 79880647) is 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine is NC1CCC(=Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine?
The InChIKey is NIYVSGCKYCBKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)11-3-1-2-9(7-11)6-10-4-5-12(17)8-10/h1-3,6-7,12H,4-5,8,17H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine?
3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine has a molecular weight of 241.26 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine is sourced from PubChem (CID 79880647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).