N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine

C11H18F3N — CID 115486704

IUPACN-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CC=CCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10/h1-2,10,15H,3-9H2
InChIKeyZIBLCBYPKIMGEL-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.27
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 115486704) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine
PubChem CID115486704
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine
SMILESFC(F)(F)CCCNCC1CC=CCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10/h1-2,10,15H,3-9H2
InChIKeyZIBLCBYPKIMGEL-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.27
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

3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
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{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
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5,6-Difluoro-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69826954
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
[(1R,4S)-4-(trifluoromethyl)cyclohex-2-en-1-yl]methanamine
CID 89073823
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine (CID 115486704) is N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine is FC(F)(F)CCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is ZIBLCBYPKIMGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10/h1-2,10,15H,3-9H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115486704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).