N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline

C12H12F3N — CID 126697090

IUPACN-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2=CCCC2)c1
InChIInChI=1S/C12H12F3N/c13-12(14,15)9-4-3-7-11(8-9)16-10-5-1-2-6-10/h3-5,7-8,16H,1-2,6H2
InChIKeyQQCSTRZDDMRTLT-UHFFFAOYSA-N
MW227.23 g/mol
LogP4.19
Rot. Bonds2

About N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline

N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline (PubChem CID 126697090) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
PubChem CID126697090
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC NameN-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2=CCCC2)c1
InChIInChI=1S/C12H12F3N/c13-12(14,15)9-4-3-7-11(8-9)16-10-5-1-2-6-10/h3-5,7-8,16H,1-2,6H2
InChIKeyQQCSTRZDDMRTLT-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
CID 15496127
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 117069141
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
1-[3-(trifluoromethyl)anilino]piperidin-2-one
CID 10729883
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143608
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 86342434

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline (CID 126697090) is N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NC2=CCCC2)c1.
What is the InChIKey of N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline?
The InChIKey is QQCSTRZDDMRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N/c13-12(14,15)9-4-3-7-11(8-9)16-10-5-1-2-6-10/h3-5,7-8,16H,1-2,6H2.
What are the key properties of N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline?
N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline has a molecular weight of 227.23 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 126697090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).