1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

C12H17F6N — CID 103309656

IUPAC1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(C1=CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6N/c1-2-19-9(8-6-4-3-5-7-8)10(11(13,14)15)12(16,17)18/h6,9-10,19H,2-5,7H2,1H3
InChIKeyKWFLAILMGFDAJP-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.21
Rot. Bonds4

About 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine

1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309656) has the molecular formula C12H17F6N and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
PubChem CID103309656
Molecular FormulaC12H17F6N
Molecular Weight289.26 g/mol
Exact Mass289.13
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(C1=CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6N/c1-2-19-9(8-6-4-3-5-7-8)10(11(13,14)15)12(16,17)18/h6,9-10,19H,2-5,7H2,1H3
InChIKeyKWFLAILMGFDAJP-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
2-Methyl-4-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89074090
(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
(Z)-2-N-[(1R)-4-ethylcyclohex-3-en-1-yl]-5,5,5-trifluoropent-2-ene-2,4-diamine
CID 118984030

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine (CID 103309656) is 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is CCNC(C1=CCCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
The InChIKey is KWFLAILMGFDAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6N/c1-2-19-9(8-6-4-3-5-7-8)10(11(13,14)15)12(16,17)18/h6,9-10,19H,2-5,7H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine?
1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine has a molecular weight of 289.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).