2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate

C9H14F3NO3 — CID 103896154

IUPAC2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate
SMILESCC1(NC(=O)OCC(F)(F)F)CCCOC1
InChIInChI=1S/C9H14F3NO3/c1-8(3-2-4-15-5-8)13-7(14)16-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyJKDIORVOWYMDQA-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.84
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate

2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate (PubChem CID 103896154) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate
PubChem CID103896154
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate
SMILESCC1(NC(=O)OCC(F)(F)F)CCCOC1
InChIInChI=1S/C9H14F3NO3/c1-8(3-2-4-15-5-8)13-7(14)16-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyJKDIORVOWYMDQA-UHFFFAOYSA-N
XLogP1.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate (CID 103896154) is 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate is CC1(NC(=O)OCC(F)(F)F)CCCOC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate?
The InChIKey is JKDIORVOWYMDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-8(3-2-4-15-5-8)13-7(14)16-6-9(10,11)12/h2-6H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate?
2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate has a molecular weight of 241.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(3-methyloxan-3-yl)carbamate is sourced from PubChem (CID 103896154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).