4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine

C8H13F3N2 — CID 79207080

IUPAC4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CNCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2/c9-8(10,11)5-13-4-6-1-2-7(12)3-6/h1-2,6-7,13H,3-5,12H2
InChIKeyCLGMXXBIBHSADQ-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.04
Rot. Bonds3

About 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine

4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine (PubChem CID 79207080) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine
PubChem CID79207080
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CNCC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2/c9-8(10,11)5-13-4-6-1-2-7(12)3-6/h1-2,6-7,13H,3-5,12H2
InChIKeyCLGMXXBIBHSADQ-UHFFFAOYSA-N
XLogP1.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
(E)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061406
(Z)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061415
N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine
CID 134201178
(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
CID 145011962
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
(Z)-5-fluoro-N,N'-dimethyl-N'-(2-methylpentyl)hept-2-ene-1,7-diamine
CID 169880743
(Z,5R,6R)-7,7,7-trifluoro-N,5,6-trimethylhept-2-en-4-amine
CID 173925655
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroethanamine
CID 43180485
1-cyclohex-3-en-1-yl-2,2,2-trifluoro-N-methylethanamine
CID 55296158
1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine
CID 55296159

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine (CID 79207080) is 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine is NC1C=CC(CNCC(F)(F)F)C1.
What is the InChIKey of 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine?
The InChIKey is CLGMXXBIBHSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c9-8(10,11)5-13-4-6-1-2-7(12)3-6/h1-2,6-7,13H,3-5,12H2.
What are the key properties of 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine?
4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine has a molecular weight of 194.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroethylamino)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).