2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide

C8H15F2NO2 — CID 156574132

IUPAC2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide
SMILESCC[C@H](NC(=O)C(C)(F)F)[C@@H](C)O
InChIInChI=1S/C8H15F2NO2/c1-4-6(5(2)12)11-7(13)8(3,9)10/h5-6,12H,4H2,1-3H3,(H,11,13)/t5-,6+/m1/s1
InChIKeyCKYPQXWJLVJIRD-RITPCOANSA-N
MW195.21 g/mol
LogP0.92
Rot. Bonds4

About 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide

2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide (PubChem CID 156574132) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide
PubChem CID156574132
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide
SMILESCC[C@H](NC(=O)C(C)(F)F)[C@@H](C)O
InChIInChI=1S/C8H15F2NO2/c1-4-6(5(2)12)11-7(13)8(3,9)10/h5-6,12H,4H2,1-3H3,(H,11,13)/t5-,6+/m1/s1
InChIKeyCKYPQXWJLVJIRD-RITPCOANSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide (CID 156574132) is 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide is CC[C@H](NC(=O)C(C)(F)F)[C@@H](C)O.
What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide?
The InChIKey is CKYPQXWJLVJIRD-RITPCOANSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-4-6(5(2)12)11-7(13)8(3,9)10/h5-6,12H,4H2,1-3H3,(H,11,13)/t5-,6+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide?
2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide has a molecular weight of 195.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2R,3S)-2-hydroxypentan-3-yl]propanamide is sourced from PubChem (CID 156574132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).