(2R,3S)-2,3-difluoro-5-methylhexanamide

C7H13F2NO — CID 134955378

IUPAC(2R,3S)-2,3-difluoro-5-methylhexanamide
SMILESCC(C)C[C@H](F)[C@H](F)C(N)=O
InChIInChI=1S/C7H13F2NO/c1-4(2)3-5(8)6(9)7(10)11/h4-6H,3H2,1-2H3,(H2,10,11)/t5-,6-/m0/s1
InChIKeySVKZNWVWNQELQK-WDSKDSINSA-N
MW165.18 g/mol
LogP1.19
Rot. Bonds4

About (2R,3S)-2,3-difluoro-5-methylhexanamide

(2R,3S)-2,3-difluoro-5-methylhexanamide (PubChem CID 134955378) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (2R,3S)-2,3-difluoro-5-methylhexanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-difluoro-5-methylhexanamide
PubChem CID134955378
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(2R,3S)-2,3-difluoro-5-methylhexanamide
SMILESCC(C)C[C@H](F)[C@H](F)C(N)=O
InChIInChI=1S/C7H13F2NO/c1-4(2)3-5(8)6(9)7(10)11/h4-6H,3H2,1-2H3,(H2,10,11)/t5-,6-/m0/s1
InChIKeySVKZNWVWNQELQK-WDSKDSINSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-difluoro-5-methylhexanamide?
The IUPAC name of (2R,3S)-2,3-difluoro-5-methylhexanamide (CID 134955378) is (2R,3S)-2,3-difluoro-5-methylhexanamide.
What is the SMILES notation for (2R,3S)-2,3-difluoro-5-methylhexanamide?
The canonical SMILES for (2R,3S)-2,3-difluoro-5-methylhexanamide is CC(C)C[C@H](F)[C@H](F)C(N)=O.
What is the InChIKey of (2R,3S)-2,3-difluoro-5-methylhexanamide?
The InChIKey is SVKZNWVWNQELQK-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-4(2)3-5(8)6(9)7(10)11/h4-6H,3H2,1-2H3,(H2,10,11)/t5-,6-/m0/s1.
What are the key properties of (2R,3S)-2,3-difluoro-5-methylhexanamide?
(2R,3S)-2,3-difluoro-5-methylhexanamide has a molecular weight of 165.18 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-difluoro-5-methylhexanamide is sourced from PubChem (CID 134955378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).