trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate

C9H14F3NO3 — CID 135383340

IUPACtrifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate
SMILESCCN(C(=O)OC(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H14F3NO3/c1-2-13(7-4-3-5-15-6-7)8(14)16-9(10,11)12/h7H,2-6H2,1H3
InChIKeyMVRZKBNAFKEJAO-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.14
Rot. Bonds2

About trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate

trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate (PubChem CID 135383340) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate.

Molecular Properties

Compound Nametrifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate
PubChem CID135383340
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Nametrifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate
SMILESCCN(C(=O)OC(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H14F3NO3/c1-2-13(7-4-3-5-15-6-7)8(14)16-9(10,11)12/h7H,2-6H2,1H3
InChIKeyMVRZKBNAFKEJAO-UHFFFAOYSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 164630389
Ethyl-[2-(trifluoromethyl)oxan-3-yl]carbamic acid
CID 135383339
2,2,2-Trifluoroethyl 3-ethylmorpholine-4-carboxylate
CID 64247605
2,2-difluoro-N-methyl-N-(oxan-3-yl)acetamide
CID 130703289
N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 132283588
[(3R)-oxan-3-yl]-propan-2-ylcarbamic acid
CID 69264708

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate?
The IUPAC name of trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate (CID 135383340) is trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate.
What is the SMILES notation for trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate?
The canonical SMILES for trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate is CCN(C(=O)OC(F)(F)F)C1CCCOC1.
What is the InChIKey of trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate?
The InChIKey is MVRZKBNAFKEJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-2-13(7-4-3-5-15-6-7)8(14)16-9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate?
trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate has a molecular weight of 241.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-ethyl-N-(oxan-3-yl)carbamate is sourced from PubChem (CID 135383340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).