N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline

C12H10F3N — CID 102081817

IUPACN-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2C=CC=C2)c1
InChIInChI=1S/C12H10F3N/c13-12(14,15)9-4-3-7-11(8-9)16-10-5-1-2-6-10/h1-8,10,16H
InChIKeyBZVFOVMHDGMPPH-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.61
Rot. Bonds2

About N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline

N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline (PubChem CID 102081817) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
PubChem CID102081817
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC NameN-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC2C=CC=C2)c1
InChIInChI=1S/C12H10F3N/c13-12(14,15)9-4-3-7-11(8-9)16-10-5-1-2-6-10/h1-8,10,16H
InChIKeyBZVFOVMHDGMPPH-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]-3-(trifluoromethyl)aniline
CID 15496127
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511458
[3-(trifluoromethyl)phenyl]aluminum(2+)
CID 87243472
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
1,3-bis[3-(trifluoromethyl)phenyl]thiourea
CID 2803092
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
2,6-difluoro-N-[3-(trifluoromethyl)phenyl]aniline
CID 82536810
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
CID 112572842
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
6-methyl-2-[3-(trifluoromethyl)anilino]-1,3-diazinan-4-one
CID 78202559

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline?
The IUPAC name of N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline (CID 102081817) is N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NC2C=CC=C2)c1.
What is the InChIKey of N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline?
The InChIKey is BZVFOVMHDGMPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c13-12(14,15)9-4-3-7-11(8-9)16-10-5-1-2-6-10/h1-8,10,16H.
What are the key properties of N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline?
N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline has a molecular weight of 225.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-2,4-dien-1-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 102081817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).