N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine

C10H14F3N — CID 63225897

IUPACN-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CCNC1CC2CC=CC21
InChIInChI=1S/C10H14F3N/c11-10(12,13)4-5-14-9-6-7-2-1-3-8(7)9/h1,3,7-9,14H,2,4-6H2
InChIKeyKEJGHLNIARPNQZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.49
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 63225897) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID63225897
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESFC(F)(F)CCNC1CC2CC=CC21
InChIInChI=1S/C10H14F3N/c11-10(12,13)4-5-14-9-6-7-2-1-3-8(7)9/h1,3,7-9,14H,2,4-6H2
InChIKeyKEJGHLNIARPNQZ-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 63225897) is N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine is FC(F)(F)CCNC1CC2CC=CC21.
What is the InChIKey of N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is KEJGHLNIARPNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c11-10(12,13)4-5-14-9-6-7-2-1-3-8(7)9/h1,3,7-9,14H,2,4-6H2.
What are the key properties of N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 205.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 63225897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).