1-(4-fluoro-4-methylcyclohexyl)ethenamine

C9H16FN — CID 143238868

IUPAC1-(4-fluoro-4-methylcyclohexyl)ethenamine
SMILESC=C(N)C1CCC(C)(F)CC1
InChIInChI=1S/C9H16FN/c1-7(11)8-3-5-9(2,10)6-4-8/h8H,1,3-6,11H2,2H3
InChIKeyUHJPJAFWIKBQRJ-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.38
Rot. Bonds1

About 1-(4-fluoro-4-methylcyclohexyl)ethenamine

1-(4-fluoro-4-methylcyclohexyl)ethenamine (PubChem CID 143238868) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylcyclohexyl)ethenamine.

Molecular Properties

Compound Name1-(4-fluoro-4-methylcyclohexyl)ethenamine
PubChem CID143238868
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-(4-fluoro-4-methylcyclohexyl)ethenamine
SMILESC=C(N)C1CCC(C)(F)CC1
InChIInChI=1S/C9H16FN/c1-7(11)8-3-5-9(2,10)6-4-8/h8H,1,3-6,11H2,2H3
InChIKeyUHJPJAFWIKBQRJ-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)ethenamine?
The IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)ethenamine (CID 143238868) is 1-(4-fluoro-4-methylcyclohexyl)ethenamine.
What is the SMILES notation for 1-(4-fluoro-4-methylcyclohexyl)ethenamine?
The canonical SMILES for 1-(4-fluoro-4-methylcyclohexyl)ethenamine is C=C(N)C1CCC(C)(F)CC1.
What is the InChIKey of 1-(4-fluoro-4-methylcyclohexyl)ethenamine?
The InChIKey is UHJPJAFWIKBQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(11)8-3-5-9(2,10)6-4-8/h8H,1,3-6,11H2,2H3.
What are the key properties of 1-(4-fluoro-4-methylcyclohexyl)ethenamine?
1-(4-fluoro-4-methylcyclohexyl)ethenamine has a molecular weight of 157.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylcyclohexyl)ethenamine is sourced from PubChem (CID 143238868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).