3,3-difluoro-N-(oxolan-3-yl)butanamide

C8H13F2NO2 — CID 130702956

IUPAC3,3-difluoro-N-(oxolan-3-yl)butanamide
SMILESCC(F)(F)CC(=O)NC1CCOC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)4-7(12)11-6-2-3-13-5-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyDXXRKXNVRQQWHY-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.94
Rot. Bonds3

About 3,3-difluoro-N-(oxolan-3-yl)butanamide

3,3-difluoro-N-(oxolan-3-yl)butanamide (PubChem CID 130702956) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-N-(oxolan-3-yl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-N-(oxolan-3-yl)butanamide
PubChem CID130702956
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-N-(oxolan-3-yl)butanamide
SMILESCC(F)(F)CC(=O)NC1CCOC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)4-7(12)11-6-2-3-13-5-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyDXXRKXNVRQQWHY-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 80713697
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
2-methyl-4-oxo-4-(oxolan-3-ylamino)-2-phenylbutanoic acid
CID 80716787
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
3-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 64684396
1-tert-butyl-3-(oxolan-3-yl)urea
CID 115755738
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
CID 99928750
(2R)-2-amino-3,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 103930246
4-chloro-N-(oxolan-3-yl)butanamide
CID 80717187
6-amino-4,4-dimethyl-N-(oxan-3-yl)hexanamide
CID 65291525

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(oxolan-3-yl)butanamide?
The IUPAC name of 3,3-difluoro-N-(oxolan-3-yl)butanamide (CID 130702956) is 3,3-difluoro-N-(oxolan-3-yl)butanamide.
What is the SMILES notation for 3,3-difluoro-N-(oxolan-3-yl)butanamide?
The canonical SMILES for 3,3-difluoro-N-(oxolan-3-yl)butanamide is CC(F)(F)CC(=O)NC1CCOC1.
What is the InChIKey of 3,3-difluoro-N-(oxolan-3-yl)butanamide?
The InChIKey is DXXRKXNVRQQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(9,10)4-7(12)11-6-2-3-13-5-6/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3,3-difluoro-N-(oxolan-3-yl)butanamide?
3,3-difluoro-N-(oxolan-3-yl)butanamide has a molecular weight of 193.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(oxolan-3-yl)butanamide is sourced from PubChem (CID 130702956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).