4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

C13H24FNO — CID 112562282

IUPAC4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESNC1CCC(F)(CCCC2CCCO2)CC1
InChIInChI=1S/C13H24FNO/c14-13(8-5-11(15)6-9-13)7-1-3-12-4-2-10-16-12/h11-12H,1-10,15H2
InChIKeyIBUKBYUOWPMOPV-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.95
Rot. Bonds4

About 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 112562282) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID112562282
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESNC1CCC(F)(CCCC2CCCO2)CC1
InChIInChI=1S/C13H24FNO/c14-13(8-5-11(15)6-9-13)7-1-3-12-4-2-10-16-12/h11-12H,1-10,15H2
InChIKeyIBUKBYUOWPMOPV-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 112562282) is 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is NC1CCC(F)(CCCC2CCCO2)CC1.
What is the InChIKey of 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is IBUKBYUOWPMOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c14-13(8-5-11(15)6-9-13)7-1-3-12-4-2-10-16-12/h11-12H,1-10,15H2.
What are the key properties of 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 112562282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).