bis(4,4-difluoropiperidin-1-yl)methanone

C11H16F4N2O — CID 140517091

IUPACbis(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F4N2O/c12-10(13)1-5-16(6-2-10)9(18)17-7-3-11(14,15)4-8-17/h1-8H2
InChIKeyHOHRXYCEVFIKDU-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.57
Rot. Bonds

About bis(4,4-difluoropiperidin-1-yl)methanone

bis(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 140517091) has the molecular formula C11H16F4N2O and a molecular weight of 268.25 g/mol. Its IUPAC name is bis(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Namebis(4,4-difluoropiperidin-1-yl)methanone
PubChem CID140517091
Molecular FormulaC11H16F4N2O
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Namebis(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(N1CCC(F)(F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F4N2O/c12-10(13)1-5-16(6-2-10)9(18)17-7-3-11(14,15)4-8-17/h1-8H2
InChIKeyHOHRXYCEVFIKDU-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45081156
(E)-4-(4,4-difluoropiperidin-1-yl)-4-oxobut-2-enoic acid
CID 116991137
2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane
CID 142306583
4,4-difluoropiperidine-1-carbothioamide
CID 45118489
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 100633380
7-bicyclo[4.1.0]heptanyl-(4,4-difluoropiperidin-1-yl)methanone
CID 119040064
(4,4-difluoropiperidin-1-yl)-piperidin-2-ylmethanone
CID 116991084
[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 58243437
8-azaspiro[4.5]decan-8-yl(pyrrolidin-1-yl)methanone
CID 115642029
3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 116991070
1-(4,4-difluoropiperidin-1-yl)-3-methylpentane-1,2-dione
CID 130457668
(1-aminocyclopropyl)-(4,4-difluoropiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 134519625

Frequently Asked Questions

What is the IUPAC name of bis(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of bis(4,4-difluoropiperidin-1-yl)methanone (CID 140517091) is bis(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for bis(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for bis(4,4-difluoropiperidin-1-yl)methanone is O=C(N1CCC(F)(F)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of bis(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is HOHRXYCEVFIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O/c12-10(13)1-5-16(6-2-10)9(18)17-7-3-11(14,15)4-8-17/h1-8H2.
What are the key properties of bis(4,4-difluoropiperidin-1-yl)methanone?
bis(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 268.25 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 140517091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).