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

C13H24FNO — CID 112567380

IUPAC3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESNC1CCCC(F)(CCCC2CCCO2)C1
InChIInChI=1S/C13H24FNO/c14-13(7-1-4-11(15)10-13)8-2-5-12-6-3-9-16-12/h11-12H,1-10,15H2
InChIKeyXEVRHMQEQYUHQK-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.95
Rot. Bonds4

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

3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 112567380) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID112567380
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESNC1CCCC(F)(CCCC2CCCO2)C1
InChIInChI=1S/C13H24FNO/c14-13(7-1-4-11(15)10-13)8-2-5-12-6-3-9-16-12/h11-12H,1-10,15H2
InChIKeyXEVRHMQEQYUHQK-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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Related Compounds

[5-(2,4-Difluorocyclohexyl)oxolan-2-yl]methanamine
CID 140479037
4-Fluoro-4-(methoxymethyl)-7-(oxolan-2-yl)heptan-1-amine
CID 103392628
(4,4-Difluorocyclohexyl)-(oxolan-3-yl)methanamine
CID 105147656
4-(Oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105156669
1-(4,4-Difluorocyclohexyl)-4-(oxolan-2-yl)butan-1-amine
CID 105156701
4-(Oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105156702
4-(Oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105156741
3-(Oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156916
1-(4,4-Difluorocyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 105156948
3-(Oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156949
3-(Oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156990
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 112567380) is 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is NC1CCCC(F)(CCCC2CCCO2)C1.
What is the InChIKey of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is XEVRHMQEQYUHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c14-13(7-1-4-11(15)10-13)8-2-5-12-6-3-9-16-12/h11-12H,1-10,15H2.
What are the key properties of 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
3-fluoro-3-[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 3-fluoro-3-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 112567380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).