N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine

C11H18F3N — CID 106173933

IUPACN-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCCC1=CCCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)7-3-8-15-9-6-10-4-1-2-5-10/h4,15H,1-3,5-9H2
InChIKeyRACAYROJMGUCRS-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 106173933) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine
PubChem CID106173933
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCCC1=CCCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)7-3-8-15-9-6-10-4-1-2-5-10/h4,15H,1-3,5-9H2
InChIKeyRACAYROJMGUCRS-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
2-[5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
CID 121451030
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
CID 121451147
4-[(2E,4Z)-3-(trifluoromethyl)hepta-2,4-dien-4-yl]-1,2,3,6-tetrahydropyridine
CID 142247437
(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine
CID 143153059
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine
CID 146536778
N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine
CID 154694573
N-(3,3-difluorocyclobutyl)-4-methylcyclohex-3-en-1-amine;2-methylpropane
CID 154694577
2-[(2Z,4E)-6,6,6-trifluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]pyrrolidine
CID 166957073
(Z)-11,12,15-trifluoro-N,14-dimethyl-8,10-dimethylidenepentadec-13-en-1-amine
CID 169607643

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine (CID 106173933) is N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is RACAYROJMGUCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c12-11(13,14)7-3-8-15-9-6-10-4-1-2-5-10/h4,15H,1-3,5-9H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 106173933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).