2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate

C9H14F3NO3 — CID 103887484

IUPAC2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
SMILESCC1CC(NC(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C9H14F3NO3/c1-6-4-7(2-3-15-6)13-8(14)16-5-9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyTUTCAEZFGJQIIJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.84
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate

2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate (PubChem CID 103887484) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
PubChem CID103887484
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
SMILESCC1CC(NC(=O)OCC(F)(F)F)CCO1
InChIInChI=1S/C9H14F3NO3/c1-6-4-7(2-3-15-6)13-8(14)16-5-9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyTUTCAEZFGJQIIJ-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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Related Compounds

ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
CID 61068490
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate
CID 115695448
2,2,2-trifluoroethyl N-(1,1-dioxothian-4-yl)carbamate
CID 65173289
2,2,2-trifluoroethyl N-(1-oxothian-4-yl)carbamate
CID 104594560
4-amino-5-[(2-methyloxan-4-yl)amino]-5-oxopentanoic acid
CID 114107781
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate
CID 114106922

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate (CID 103887484) is 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate is CC1CC(NC(=O)OCC(F)(F)F)CCO1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate?
The InChIKey is TUTCAEZFGJQIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6-4-7(2-3-15-6)13-8(14)16-5-9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate?
2,2,2-trifluoroethyl N-(2-methyloxan-4-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-(2-methyloxan-4-yl)carbamate is sourced from PubChem (CID 103887484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).