1-[4-(trifluoromethyl)cyclohexyl]ethenamine

C9H14F3N — CID 147356690

IUPAC1-[4-(trifluoromethyl)cyclohexyl]ethenamine
SMILESC=C(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h7-8H,1-5,13H2
InChIKeyVKKNCPIOCJVSEW-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.83
Rot. Bonds1

About 1-[4-(trifluoromethyl)cyclohexyl]ethenamine

1-[4-(trifluoromethyl)cyclohexyl]ethenamine (PubChem CID 147356690) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]ethenamine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]ethenamine
PubChem CID147356690
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]ethenamine
SMILESC=C(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h7-8H,1-5,13H2
InChIKeyVKKNCPIOCJVSEW-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]ethenamine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]ethenamine (CID 147356690) is 1-[4-(trifluoromethyl)cyclohexyl]ethenamine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]ethenamine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]ethenamine is C=C(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]ethenamine?
The InChIKey is VKKNCPIOCJVSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h7-8H,1-5,13H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]ethenamine?
1-[4-(trifluoromethyl)cyclohexyl]ethenamine has a molecular weight of 193.21 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]ethenamine is sourced from PubChem (CID 147356690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).