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

C13H19F6N — CID 103309657

IUPAC1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1=CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6N/c1-2-8-20-10(9-6-4-3-5-7-9)11(12(14,15)16)13(17,18)19/h6,10-11,20H,2-5,7-8H2,1H3
InChIKeyMDRVBQYTBGHHQD-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.60
Rot. Bonds5

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

1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309657) has the molecular formula C13H19F6N and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103309657
Molecular FormulaC13H19F6N
Molecular Weight303.29 g/mol
Exact Mass303.14
IUPAC Name1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1=CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6N/c1-2-8-20-10(9-6-4-3-5-7-9)11(12(14,15)16)13(17,18)19/h6,10-11,20H,2-5,7-8H2,1H3
InChIKeyMDRVBQYTBGHHQD-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.60
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)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103309657) is 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(C1=CCCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is MDRVBQYTBGHHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6N/c1-2-8-20-10(9-6-4-3-5-7-9)11(12(14,15)16)13(17,18)19/h6,10-11,20H,2-5,7-8H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 303.29 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).