N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine

C9H15F2N — CID 102869681

IUPACN-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine
SMILESCC(NC1CC=CCC1)C(F)F
InChIInChI=1S/C9H15F2N/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-3,7-9,12H,4-6H2,1H3
InChIKeyRKTOEFCHKVVIEH-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.34
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine

N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine (PubChem CID 102869681) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine
PubChem CID102869681
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC NameN-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine
SMILESCC(NC1CC=CCC1)C(F)F
InChIInChI=1S/C9H15F2N/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-3,7-9,12H,4-6H2,1H3
InChIKeyRKTOEFCHKVVIEH-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.34
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-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine (CID 102869681) is N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine is CC(NC1CC=CCC1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine?
The InChIKey is RKTOEFCHKVVIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-3,7-9,12H,4-6H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine?
N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 102869681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).