N-(2,2-difluoroethyl)cyclohex-2-en-1-amine

C8H13F2N — CID 107907618

IUPACN-(2,2-difluoroethyl)cyclohex-2-en-1-amine
SMILESFC(F)CNC1C=CCCC1
InChIInChI=1S/C8H13F2N/c9-8(10)6-11-7-4-2-1-3-5-7/h2,4,7-8,11H,1,3,5-6H2
InChIKeyPFGOBGWUGMUWGL-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.95
Rot. Bonds3

About N-(2,2-difluoroethyl)cyclohex-2-en-1-amine

N-(2,2-difluoroethyl)cyclohex-2-en-1-amine (PubChem CID 107907618) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)cyclohex-2-en-1-amine
PubChem CID107907618
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC NameN-(2,2-difluoroethyl)cyclohex-2-en-1-amine
SMILESFC(F)CNC1C=CCCC1
InChIInChI=1S/C8H13F2N/c9-8(10)6-11-7-4-2-1-3-5-7/h2,4,7-8,11H,1,3,5-6H2
InChIKeyPFGOBGWUGMUWGL-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)cyclohex-2-en-1-amine (CID 107907618) is N-(2,2-difluoroethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)cyclohex-2-en-1-amine is FC(F)CNC1C=CCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)cyclohex-2-en-1-amine?
The InChIKey is PFGOBGWUGMUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)6-11-7-4-2-1-3-5-7/h2,4,7-8,11H,1,3,5-6H2.
What are the key properties of N-(2,2-difluoroethyl)cyclohex-2-en-1-amine?
N-(2,2-difluoroethyl)cyclohex-2-en-1-amine has a molecular weight of 161.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107907618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).