3-[(4-fluorocyclohexyl)amino]oxolan-2-one

C10H16FNO2 — CID 130962030

IUPAC3-[(4-fluorocyclohexyl)amino]oxolan-2-one
SMILESO=C1OCCC1NC1CCC(F)CC1
InChIInChI=1S/C10H16FNO2/c11-7-1-3-8(4-2-7)12-9-5-6-14-10(9)13/h7-9,12H,1-6H2
InChIKeySYOYTQDBFFJQBE-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.17
Rot. Bonds2

About 3-[(4-fluorocyclohexyl)amino]oxolan-2-one

3-[(4-fluorocyclohexyl)amino]oxolan-2-one (PubChem CID 130962030) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-[(4-fluorocyclohexyl)amino]oxolan-2-one.

Molecular Properties

Compound Name3-[(4-fluorocyclohexyl)amino]oxolan-2-one
PubChem CID130962030
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name3-[(4-fluorocyclohexyl)amino]oxolan-2-one
SMILESO=C1OCCC1NC1CCC(F)CC1
InChIInChI=1S/C10H16FNO2/c11-7-1-3-8(4-2-7)12-9-5-6-14-10(9)13/h7-9,12H,1-6H2
InChIKeySYOYTQDBFFJQBE-UHFFFAOYSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclohexylamino)oxolan-2-one;hydrochloride
CID 71455995
3-[4-[5-(2,2,2-Trifluoroethylamino)pentyl]piperazin-1-yl]oxolan-2-one
CID 173504417
3-(Cyclohexylamino)oxolan-2-one
CID 43824131
2-[(4-Fluorooxolan-3-yl)amino]cyclohexan-1-one
CID 126856366
3-(1-Fluoropropan-2-ylamino)oxolan-2-one
CID 130637247
3-[(3-Fluorocyclopentyl)amino]oxolan-2-one
CID 130649635
ethyl 2-{[(1R,2R)-2-fluorocyclohexyl]amino}acetate
CID 168021367
Diethyl 2-(cyclohexylamino)butanedioate
CID 3974192
Ethyl cyclohexylalaninate
CID 20476713
(3S)-3-(butylamino)oxolan-2-one
CID 28421622
(3S)-3-(pentylamino)oxolan-2-one
CID 28563677
3-(Butylamino)oxolan-2-one
CID 43824118

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorocyclohexyl)amino]oxolan-2-one?
The IUPAC name of 3-[(4-fluorocyclohexyl)amino]oxolan-2-one (CID 130962030) is 3-[(4-fluorocyclohexyl)amino]oxolan-2-one.
What is the SMILES notation for 3-[(4-fluorocyclohexyl)amino]oxolan-2-one?
The canonical SMILES for 3-[(4-fluorocyclohexyl)amino]oxolan-2-one is O=C1OCCC1NC1CCC(F)CC1.
What is the InChIKey of 3-[(4-fluorocyclohexyl)amino]oxolan-2-one?
The InChIKey is SYOYTQDBFFJQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-7-1-3-8(4-2-7)12-9-5-6-14-10(9)13/h7-9,12H,1-6H2.
What are the key properties of 3-[(4-fluorocyclohexyl)amino]oxolan-2-one?
3-[(4-fluorocyclohexyl)amino]oxolan-2-one has a molecular weight of 201.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorocyclohexyl)amino]oxolan-2-one is sourced from PubChem (CID 130962030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).