2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide

C10H19F2NO2 — CID 169194149

IUPAC2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide
SMILESCC(C)[C@@H](NC(=O)C(C)(F)F)C(C)(C)O
InChIInChI=1S/C10H19F2NO2/c1-6(2)7(9(3,4)15)13-8(14)10(5,11)12/h6-7,15H,1-5H3,(H,13,14)/t7-/m1/s1
InChIKeyMTQWUHKSHANIJJ-SSDOTTSWSA-N
MW223.26 g/mol
LogP1.55
Rot. Bonds4

About 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide

2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide (PubChem CID 169194149) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide
PubChem CID169194149
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide
SMILESCC(C)[C@@H](NC(=O)C(C)(F)F)C(C)(C)O
InChIInChI=1S/C10H19F2NO2/c1-6(2)7(9(3,4)15)13-8(14)10(5,11)12/h6-7,15H,1-5H3,(H,13,14)/t7-/m1/s1
InChIKeyMTQWUHKSHANIJJ-SSDOTTSWSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-N-(3-hydroxy-3-methylcyclobutyl)-2,2-dimethylpropanamide
CID 126790846
N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 21743803
2-hydroxy-3-methyl-N-propan-2-yl-2-(trifluoromethyl)butanamide
CID 59749606
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
2,2,2-trifluoro-N-[(3S)-2-hydroxy-2-methylpentan-3-yl]acetamide
CID 124171567
2,2,2-trifluoro-N-(3-hydroxy-3-methylbutan-2-yl)acetamide
CID 131175842
N-(1,1,1-trifluoro-2,2-dihydroxy-4-methylpentan-3-yl)acetamide
CID 139631475
2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide
CID 158075293
2-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]pentanamide
CID 161726386
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-methylpropanamide
CID 167018545

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide (CID 169194149) is 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide is CC(C)[C@@H](NC(=O)C(C)(F)F)C(C)(C)O.
What is the InChIKey of 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide?
The InChIKey is MTQWUHKSHANIJJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-6(2)7(9(3,4)15)13-8(14)10(5,11)12/h6-7,15H,1-5H3,(H,13,14)/t7-/m1/s1.
What are the key properties of 2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide?
2,2-difluoro-N-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide has a molecular weight of 223.26 g/mol, XLogP of 1.55, 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-[(3R)-2-hydroxy-2,4-dimethylpentan-3-yl]propanamide is sourced from PubChem (CID 169194149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).