3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one

C12H19F2NO3 — CID 106132303

IUPAC3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one
SMILESO=C1OC(CNCC2CCCC(O)C2)CC1(F)F
InChIInChI=1S/C12H19F2NO3/c13-12(14)5-10(18-11(12)17)7-15-6-8-2-1-3-9(16)4-8/h8-10,15-16H,1-7H2
InChIKeyKLJBVVPPORRXSM-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.08
Rot. Bonds4

About 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one

3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one (PubChem CID 106132303) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one
PubChem CID106132303
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one
SMILESO=C1OC(CNCC2CCCC(O)C2)CC1(F)F
InChIInChI=1S/C12H19F2NO3/c13-12(14)5-10(18-11(12)17)7-15-6-8-2-1-3-9(16)4-8/h8-10,15-16H,1-7H2
InChIKeyKLJBVVPPORRXSM-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Difluoro-5-[[(3-methylcyclohexyl)methylamino]methyl]oxolan-2-one
CID 105933807
3,3-Difluoro-5-[[2-(2-hydroxyethyl)pentylamino]methyl]oxolan-2-one
CID 106115295
3,3-Difluoro-5-[[(4-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one
CID 106133283
5-[[(3-Ethyl-2-hydroxypentyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 106285508
3,3-Difluoro-5-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]oxolan-2-one
CID 106360791
3,3-Difluoro-5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]oxolan-2-one
CID 106361114
3,3-Difluoro-5-[[(2-methylcyclohexyl)amino]methyl]oxolan-2-one
CID 106492308
3,3-Difluoro-5-[[(3-methylcyclohexyl)amino]methyl]oxolan-2-one
CID 106492367
5-[(Cyclohexylmethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492369
5-[[(4-Ethylcyclohexyl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492429
3,3-Difluoro-5-[[(1-methylcyclohexyl)amino]methyl]oxolan-2-one
CID 106492539
5-[(1-Cyclohexylethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492578

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one (CID 106132303) is 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one is O=C1OC(CNCC2CCCC(O)C2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one?
The InChIKey is KLJBVVPPORRXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c13-12(14)5-10(18-11(12)17)7-15-6-8-2-1-3-9(16)4-8/h8-10,15-16H,1-7H2.
What are the key properties of 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one?
3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one has a molecular weight of 263.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[(3-hydroxycyclohexyl)methylamino]methyl]oxolan-2-one is sourced from PubChem (CID 106132303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).