1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

C10H16F3N — CID 105161329

IUPAC1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h2,7-9H,1,3-6,14H2
InChIKeyIDWFCQFWWKOETQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.87
Rot. Bonds2

About 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine

1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (PubChem CID 105161329) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
PubChem CID105161329
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h2,7-9H,1,3-6,14H2
InChIKeyIDWFCQFWWKOETQ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine (CID 105161329) is 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is C=CC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
The InChIKey is IDWFCQFWWKOETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h2,7-9H,1,3-6,14H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine?
1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine has a molecular weight of 207.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine is sourced from PubChem (CID 105161329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).