1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine

C9H14F3N — CID 62078148

IUPAC1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8H,1-3,5-6,13H2
InChIKeyNGIFZBRAWNGXKC-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.77
Rot. Bonds2

About 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine

1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 62078148) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID62078148
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8H,1-3,5-6,13H2
InChIKeyNGIFZBRAWNGXKC-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-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 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine (CID 62078148) is 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is NGIFZBRAWNGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h4,8H,1-3,5-6,13H2.
What are the key properties of 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine?
1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 193.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 62078148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).