3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide

C8H13F2NO2 — CID 130834234

IUPAC3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide
SMILESC[C@H](CO)NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(4-12)11-7(13)6-2-8(9,10)3-6/h5-6,12H,2-4H2,1H3,(H,11,13)/t5-/m1/s1
InChIKeyWABKEOJLOZJBMC-RXMQYKEDSA-N
MW193.19 g/mol
LogP0.53
Rot. Bonds3

About 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide

3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide (PubChem CID 130834234) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide
PubChem CID130834234
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide
SMILESC[C@H](CO)NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(4-12)11-7(13)6-2-8(9,10)3-6/h5-6,12H,2-4H2,1H3,(H,11,13)/t5-/m1/s1
InChIKeyWABKEOJLOZJBMC-RXMQYKEDSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
2-[(3,3-difluorocyclobutanecarbonyl)amino]propanoic acid
CID 119348545
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclobutane-1-carboxamide
CID 164821522
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 131154627
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162
N-(4-chlorobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 83180012
N-[4-(cyclopropylmethylamino)-3,4-dioxobutan-2-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 139335059
N-(4-methylpentan-2-yl)cyclopropanecarboxamide
CID 64592829
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide
CID 66804094

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide (CID 130834234) is 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide is C[C@H](CO)NC(=O)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide?
The InChIKey is WABKEOJLOZJBMC-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(4-12)11-7(13)6-2-8(9,10)3-6/h5-6,12H,2-4H2,1H3,(H,11,13)/t5-/m1/s1.
What are the key properties of 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 130834234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).