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

C12H18F3NO3 — CID 63374724

IUPAC2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
SMILESO=C(N(CC1CCCO1)CC1CCCO1)C(F)(F)F
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)11(17)16(7-9-3-1-5-18-9)8-10-4-2-6-19-10/h9-10H,1-8H2
InChIKeyMRKYKGAJZVVKCA-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.74
Rot. Bonds4

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

2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide (PubChem CID 63374724) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
PubChem CID63374724
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
SMILESO=C(N(CC1CCCO1)CC1CCCO1)C(F)(F)F
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)11(17)16(7-9-3-1-5-18-9)8-10-4-2-6-19-10/h9-10H,1-8H2
InChIKeyMRKYKGAJZVVKCA-UHFFFAOYSA-N
XLogP1.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-[2-(propoxymethyl)pyrrolidin-1-yl]ethanone
CID 145581935
2,2,2-Trifluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 60707733
2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate
CID 61068657
2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 61355732
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
2,2,2-Trifluoro-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 63198975
2,2,2-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 63199305
N-methyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86823997
2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
CID 103514890
N-ethyl-2,2-difluoro-N-(oxolan-2-ylmethyl)acetamide
CID 103515634
2,2-difluoro-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 103515658
2,2-Difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 103600734

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide (CID 63374724) is 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide is O=C(N(CC1CCCO1)CC1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
The InChIKey is MRKYKGAJZVVKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)11(17)16(7-9-3-1-5-18-9)8-10-4-2-6-19-10/h9-10H,1-8H2.
What are the key properties of 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide?
2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide has a molecular weight of 281.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 63374724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).