2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine

C10H17F2N — CID 116662235

IUPAC2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine
SMILESCCNCC(F)(F)C1=CCCCC1
InChIInChI=1S/C10H17F2N/c1-2-13-8-10(11,12)9-6-4-3-5-7-9/h6,13H,2-5,7-8H2,1H3
InChIKeyKDJDXULUXLWLFW-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.73
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine

2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine (PubChem CID 116662235) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine
PubChem CID116662235
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine
SMILESCCNCC(F)(F)C1=CCCCC1
InChIInChI=1S/C10H17F2N/c1-2-13-8-10(11,12)9-6-4-3-5-7-9/h6,13H,2-5,7-8H2,1H3
InChIKeyKDJDXULUXLWLFW-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.73
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

N-[2-(1-cyclohexen-1-yl)ethyl]-1-propanamine hydrochloride
CID 16641248
[2-(1-Cyclohexen-1-yl)ethyl]ethylamine hydrochloride
CID 16956078
[2-(Cyclohex-1-en-1-yl)ethyl](methyl)amine
CID 18360934
N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
CID 11033637
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(Z)-2-N-[(1R)-4-ethylcyclohex-3-en-1-yl]-5,5,5-trifluoropent-2-ene-2,4-diamine
CID 118984030
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
N-ethyl-1-[4-(1-fluoroethyl)cyclohexa-1,3-dien-1-yl]propan-2-amine
CID 132005049
(1S,2S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429382
(1R,2R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429404

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine (CID 116662235) is 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine is CCNCC(F)(F)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine?
The InChIKey is KDJDXULUXLWLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-2-13-8-10(11,12)9-6-4-3-5-7-9/h6,13H,2-5,7-8H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine?
2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine has a molecular weight of 189.25 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-ethyl-2,2-difluoroethanamine is sourced from PubChem (CID 116662235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).