N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen

C10H21F2NO — CID 169193460

IUPACN-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen
SMILESCC[C@@H](NC(=O)C(C)(F)F)C(C)(C)C.[H][H]
InChIInChI=1S/C10H19F2NO.H2/c1-6-7(9(2,3)4)13-8(14)10(5,11)12;/h7H,6H2,1-5H3,(H,13,14);1H/t7-;/m1./s1
InChIKeyPQFZCIBXPVICAF-OGFXRTJISA-N
MW209.28 g/mol
LogP2.83
Rot. Bonds3

About N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen

N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen (PubChem CID 169193460) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen
PubChem CID169193460
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC NameN-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen
SMILESCC[C@@H](NC(=O)C(C)(F)F)C(C)(C)C.[H][H]
InChIInChI=1S/C10H19F2NO.H2/c1-6-7(9(2,3)4)13-8(14)10(5,11)12;/h7H,6H2,1-5H3,(H,13,14);1H/t7-;/m1./s1
InChIKeyPQFZCIBXPVICAF-OGFXRTJISA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen?
The IUPAC name of N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen (CID 169193460) is N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen.
What is the SMILES notation for N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen?
The canonical SMILES for N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen is CC[C@@H](NC(=O)C(C)(F)F)C(C)(C)C.[H][H].
What is the InChIKey of N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen?
The InChIKey is PQFZCIBXPVICAF-OGFXRTJISA-N. The full InChI is InChI=1S/C10H19F2NO.H2/c1-6-7(9(2,3)4)13-8(14)10(5,11)12;/h7H,6H2,1-5H3,(H,13,14);1H/t7-;/m1./s1.
What are the key properties of N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen?
N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen has a molecular weight of 209.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,2-dimethylpentan-3-yl]-2,2-difluoropropanamide;molecular hydrogen is sourced from PubChem (CID 169193460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).