N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine

C11H19F2N — CID 116662266

IUPACN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNCC(F)(F)C1=CCCCC1
InChIInChI=1S/C11H19F2N/c1-2-8-14-9-11(12,13)10-6-4-3-5-7-10/h6,14H,2-5,7-9H2,1H3
InChIKeyFWLUPJCMRVGBIN-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine

N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 116662266) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine
PubChem CID116662266
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNCC(F)(F)C1=CCCCC1
InChIInChI=1S/C11H19F2N/c1-2-8-14-9-11(12,13)10-6-4-3-5-7-10/h6,14H,2-5,7-9H2,1H3
InChIKeyFWLUPJCMRVGBIN-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.12
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

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 N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine (CID 116662266) is N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine is CCCNCC(F)(F)C1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is FWLUPJCMRVGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-2-8-14-9-11(12,13)10-6-4-3-5-7-10/h6,14H,2-5,7-9H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine?
N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 116662266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).