2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate

C13H20F3NO4 — CID 61068657

IUPAC2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate
SMILESO=C(OCC(F)(F)F)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H20F3NO4/c14-13(15,16)9-21-12(18)17(7-10-3-1-5-19-10)8-11-4-2-6-20-11/h10-11H,1-9H2
InChIKeyIFSFXSQBWPVRTG-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.35
Rot. Bonds5

About 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate (PubChem CID 61068657) has the molecular formula C13H20F3NO4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate
PubChem CID61068657
Molecular FormulaC13H20F3NO4
Molecular Weight311.30 g/mol
Exact Mass311.13
IUPAC Name2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate
SMILESO=C(OCC(F)(F)F)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H20F3NO4/c14-13(15,16)9-21-12(18)17(7-10-3-1-5-19-10)8-11-4-2-6-20-11/h10-11H,1-9H2
InChIKeyIFSFXSQBWPVRTG-UHFFFAOYSA-N
XLogP2.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1,1-Difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-3-methyl-1,3-oxazolidin-2-one
CID 101432697
2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
CID 61238690
2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 61355732
2,2,2-trifluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
CID 63374724
2,2,2-Trifluoroethyl 4-(oxolan-2-ylmethyl)piperazine-1-carboxylate
CID 65173579
2,2-difluoro-N,N-bis(oxolan-2-ylmethyl)acetamide
CID 103514890
2,2,3,3-tetrafluoro-N,N-bis(oxolan-2-ylmethyl)propanamide
CID 103732889
ethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 62045383
3-(Oxolan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 177165893
ethyl N,N-bis(oxolan-2-ylmethyl)carbamate
CID 61073958
tert-butyl N,N-bis(oxolan-2-ylmethyl)carbamate
CID 63788514
propan-2-yl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
CID 116654581

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate (CID 61068657) is 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate is O=C(OCC(F)(F)F)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
The InChIKey is IFSFXSQBWPVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO4/c14-13(15,16)9-21-12(18)17(7-10-3-1-5-19-10)8-11-4-2-6-20-11/h10-11H,1-9H2.
What are the key properties of 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate has a molecular weight of 311.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N,N-bis(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 61068657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).