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

C12H22FNO — CID 112562490

IUPAC4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(F)(CCC2CCCO2)CC1
InChIInChI=1S/C12H22FNO/c13-12(6-3-10(14)4-7-12)8-5-11-2-1-9-15-11/h10-11H,1-9,14H2
InChIKeyBOEHMDVVACKQOT-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.56
Rot. Bonds3

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

4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 112562490) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
PubChem CID112562490
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(F)(CCC2CCCO2)CC1
InChIInChI=1S/C12H22FNO/c13-12(6-3-10(14)4-7-12)8-5-11-2-1-9-15-11/h10-11H,1-9,14H2
InChIKeyBOEHMDVVACKQOT-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxaspiro(4.5)decan-8-amine hydrochloride
CID 165592255
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
1-Oxaspiro[4.5]decan-8-amine
CID 67070405
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine;ethane
CID 163295550
4,4-Difluoro-1-oxaspiro[4.5]decan-8-amine
CID 163295551
4-(3,3,3-Trifluoro-2-methoxypropyl)cyclohexan-1-amine
CID 84735636
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (CID 112562490) is 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is NC1CCC(F)(CCC2CCCO2)CC1.
What is the InChIKey of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is BOEHMDVVACKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-12(6-3-10(14)4-7-12)8-5-11-2-1-9-15-11/h10-11H,1-9,14H2.
What are the key properties of 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 112562490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).