2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide

C12H19F2NO3 — CID 103514890

IUPAC2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
SMILESO=C(C(F)F)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C12H19F2NO3/c13-11(14)12(16)15(7-9-3-1-5-17-9)8-10-4-2-6-18-10/h9-11H,1-8H2
InChIKeyJJZBOELSDIRWKJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.44
Rot. Bonds5

About 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide

2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide (PubChem CID 103514890) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
PubChem CID103514890
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
SMILESO=C(C(F)F)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C12H19F2NO3/c13-11(14)12(16)15(7-9-3-1-5-17-9)8-10-4-2-6-18-10/h9-11H,1-8H2
InChIKeyJJZBOELSDIRWKJ-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide (CID 103514890) is 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide is O=C(C(F)F)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
The InChIKey is JJZBOELSDIRWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c13-11(14)12(16)15(7-9-3-1-5-17-9)8-10-4-2-6-18-10/h9-11H,1-8H2.
What are the key properties of 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide has a molecular weight of 263.28 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 103514890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).