4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline

C15H20FN — CID 72789908

IUPAC4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline
SMILESC=CCC1CCCCC1Nc1ccc(F)cc1
InChIInChI=1S/C15H20FN/c1-2-5-12-6-3-4-7-15(12)17-14-10-8-13(16)9-11-14/h2,8-12,15,17H,1,3-7H2
InChIKeyMBXHFOGPCBKHRX-UHFFFAOYSA-N
MW233.33 g/mol
LogP4.37
Rot. Bonds4

About 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline

4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline (PubChem CID 72789908) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline
PubChem CID72789908
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline
SMILESC=CCC1CCCCC1Nc1ccc(F)cc1
InChIInChI=1S/C15H20FN/c1-2-5-12-6-3-4-7-15(12)17-14-10-8-13(16)9-11-14/h2,8-12,15,17H,1,3-7H2
InChIKeyMBXHFOGPCBKHRX-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.37
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-N-(2-prop-2-enylcyclohexyl)aniline?
The IUPAC name of 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline (CID 72789908) is 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline?
The canonical SMILES for 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline is C=CCC1CCCCC1Nc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline?
The InChIKey is MBXHFOGPCBKHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-2-5-12-6-3-4-7-15(12)17-14-10-8-13(16)9-11-14/h2,8-12,15,17H,1,3-7H2.
What are the key properties of 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline?
4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline has a molecular weight of 233.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-prop-2-enylcyclohexyl)aniline is sourced from PubChem (CID 72789908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).