1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

C11H18F3N — CID 105108638

IUPAC1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=CCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N/c1-2-3-10(15)8-4-6-9(7-5-8)11(12,13)14/h2,8-10H,1,3-7,15H2
InChIKeyVRZIDOXRNXBTFC-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.26
Rot. Bonds3

About 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine

1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (PubChem CID 105108638) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
PubChem CID105108638
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
SMILESC=CCC(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N/c1-2-3-10(15)8-4-6-9(7-5-8)11(12,13)14/h2,8-10H,1,3-7,15H2
InChIKeyVRZIDOXRNXBTFC-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.26
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]but-3-en-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine (CID 105108638) is 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is C=CCC(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
The InChIKey is VRZIDOXRNXBTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-2-3-10(15)8-4-6-9(7-5-8)11(12,13)14/h2,8-10H,1,3-7,15H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine?
1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine is sourced from PubChem (CID 105108638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).