2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide

C10H17F2NO2 — CID 176856947

IUPAC2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide
SMILESCC(C)[C@@H]1COCC[C@H]1NC(=O)C(F)F
InChIInChI=1S/C10H17F2NO2/c1-6(2)7-5-15-4-3-8(7)13-10(14)9(11)12/h6-9H,3-5H2,1-2H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyCERDNQJHJWQSGW-JGVFFNPUSA-N
MW221.25 g/mol
LogP1.43
Rot. Bonds3

About 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide

2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide (PubChem CID 176856947) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide
PubChem CID176856947
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide
SMILESCC(C)[C@@H]1COCC[C@H]1NC(=O)C(F)F
InChIInChI=1S/C10H17F2NO2/c1-6(2)7-5-15-4-3-8(7)13-10(14)9(11)12/h6-9H,3-5H2,1-2H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyCERDNQJHJWQSGW-JGVFFNPUSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide (CID 176856947) is 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide is CC(C)[C@@H]1COCC[C@H]1NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide?
The InChIKey is CERDNQJHJWQSGW-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-6(2)7-5-15-4-3-8(7)13-10(14)9(11)12/h6-9H,3-5H2,1-2H3,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide?
2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide has a molecular weight of 221.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3S,4R)-3-propan-2-yloxan-4-yl]acetamide is sourced from PubChem (CID 176856947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).