4-fluoro-4-prop-2-enylcyclohexan-1-amine

C9H16FN — CID 112562510

IUPAC4-fluoro-4-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(F)CCC(N)CC1
InChIInChI=1S/C9H16FN/c1-2-5-9(10)6-3-8(11)4-7-9/h2,8H,1,3-7,11H2
InChIKeyBFNRTTIDYBKBCY-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.17
Rot. Bonds2

About 4-fluoro-4-prop-2-enylcyclohexan-1-amine

4-fluoro-4-prop-2-enylcyclohexan-1-amine (PubChem CID 112562510) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 4-fluoro-4-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-prop-2-enylcyclohexan-1-amine
PubChem CID112562510
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name4-fluoro-4-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(F)CCC(N)CC1
InChIInChI=1S/C9H16FN/c1-2-5-9(10)6-3-8(11)4-7-9/h2,8H,1,3-7,11H2
InChIKeyBFNRTTIDYBKBCY-UHFFFAOYSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.17
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 4-fluoro-4-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-prop-2-enylcyclohexan-1-amine (CID 112562510) is 4-fluoro-4-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-prop-2-enylcyclohexan-1-amine is C=CCC1(F)CCC(N)CC1.
What is the InChIKey of 4-fluoro-4-prop-2-enylcyclohexan-1-amine?
The InChIKey is BFNRTTIDYBKBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-2-5-9(10)6-3-8(11)4-7-9/h2,8H,1,3-7,11H2.
What are the key properties of 4-fluoro-4-prop-2-enylcyclohexan-1-amine?
4-fluoro-4-prop-2-enylcyclohexan-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 112562510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).