3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine

C10H16F3N — CID 64759977

IUPAC3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine
SMILESNCCC=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h2,9H,1,3-7,14H2/b8-2-
InChIKeyXVSPMFZFHCRWHG-WAPJZHGLSA-N
MW207.24 g/mol
LogP3.01
Rot. Bonds2

About 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine

3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine (PubChem CID 64759977) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine
PubChem CID64759977
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine
SMILESNCCC=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h2,9H,1,3-7,14H2/b8-2-
InChIKeyXVSPMFZFHCRWHG-WAPJZHGLSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.01
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 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine?
The IUPAC name of 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine (CID 64759977) is 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine is NCCC=C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine?
The InChIKey is XVSPMFZFHCRWHG-WAPJZHGLSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h2,9H,1,3-7,14H2/b8-2-.
What are the key properties of 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine?
3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)cyclohexylidene]propan-1-amine is sourced from PubChem (CID 64759977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).