(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

C10H15F2NO3 — CID 116991523

IUPAC(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESO=C(N1CCCC(F)(F)C1)C1(CO)COC1
InChIInChI=1S/C10H15F2NO3/c11-10(12)2-1-3-13(4-10)8(15)9(5-14)6-16-7-9/h14H,1-7H2
InChIKeyNVTNACSIXQWVFZ-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.25
Rot. Bonds2

About (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone

(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (PubChem CID 116991523) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
PubChem CID116991523
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Name(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
SMILESO=C(N1CCCC(F)(F)C1)C1(CO)COC1
InChIInChI=1S/C10H15F2NO3/c11-10(12)2-1-3-13(4-10)8(15)9(5-14)6-16-7-9/h14H,1-7H2
InChIKeyNVTNACSIXQWVFZ-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116991510
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
3,3-difluoropiperidine-1-carbohydrazide
CID 116991543
4-(3,3-difluoropiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 116991467
(3,3-difluoropyrrolidin-1-yl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116991766
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
CID 130711152
(3,3-difluoroazetidin-1-yl)-(3-methyloxetan-3-yl)methanone
CID 126999557
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The IUPAC name of (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone (CID 116991523) is (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone.
What is the SMILES notation for (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The canonical SMILES for (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is O=C(N1CCCC(F)(F)C1)C1(CO)COC1.
What is the InChIKey of (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
The InChIKey is NVTNACSIXQWVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3/c11-10(12)2-1-3-13(4-10)8(15)9(5-14)6-16-7-9/h14H,1-7H2.
What are the key properties of (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone?
(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone has a molecular weight of 235.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone is sourced from PubChem (CID 116991523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).