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

C10H17F2N — CID 102869448

IUPACN-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine
SMILESCC(NCC1CC=CCC1)C(F)F
InChIInChI=1S/C10H17F2N/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-3,8-10,13H,4-7H2,1H3
InChIKeyDMFQANAEWFKEIB-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.59
Rot. Bonds4

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

N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine (PubChem CID 102869448) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine
PubChem CID102869448
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine
SMILESCC(NCC1CC=CCC1)C(F)F
InChIInChI=1S/C10H17F2N/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-3,8-10,13H,4-7H2,1H3
InChIKeyDMFQANAEWFKEIB-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine (CID 102869448) is N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine is CC(NCC1CC=CCC1)C(F)F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine?
The InChIKey is DMFQANAEWFKEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-3,8-10,13H,4-7H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine has a molecular weight of 189.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102869448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).