3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine

C9H14F3N — CID 162577996

IUPAC3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine
SMILESCCC1C=C(N)CC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-2-6-3-7(9(10,11)12)5-8(13)4-6/h4,6-7H,2-3,5,13H2,1H3
InChIKeyWUIJCRRWCZNNIG-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.83
Rot. Bonds1

About 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine

3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine (PubChem CID 162577996) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine.

Molecular Properties

Compound Name3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine
PubChem CID162577996
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine
SMILESCCC1C=C(N)CC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-2-6-3-7(9(10,11)12)5-8(13)4-6/h4,6-7H,2-3,5,13H2,1H3
InChIKeyWUIJCRRWCZNNIG-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 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine?
The IUPAC name of 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine (CID 162577996) is 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine.
What is the SMILES notation for 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine?
The canonical SMILES for 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine is CCC1C=C(N)CC(C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine?
The InChIKey is WUIJCRRWCZNNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-2-6-3-7(9(10,11)12)5-8(13)4-6/h4,6-7H,2-3,5,13H2,1H3.
What are the key properties of 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine?
3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine 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 3-ethyl-5-(trifluoromethyl)cyclohexen-1-amine is sourced from PubChem (CID 162577996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).