2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate

C11H16F3NO3 — CID 122276425

IUPAC2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate
SMILESO=C(NC1CCC12CCOCC2)OCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-18-9(16)15-8-1-2-10(8)3-5-17-6-4-10/h8H,1-7H2,(H,15,16)
InChIKeyHAGMTMBWYNOLPR-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.23
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate

2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate (PubChem CID 122276425) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate
PubChem CID122276425
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate
SMILESO=C(NC1CCC12CCOCC2)OCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-18-9(16)15-8-1-2-10(8)3-5-17-6-4-10/h8H,1-7H2,(H,15,16)
InChIKeyHAGMTMBWYNOLPR-UHFFFAOYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-trifluoroethoxycarbonylamino)oxane-4-carboxylic acid
CID 115291874
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
N-(7-oxaspiro[3.5]nonan-3-yl)oxolane-2-carboxamide
CID 122276279
2,2,2-trifluoroethyl N-(1,1-dioxothian-4-yl)carbamate
CID 65173289
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
N-(7-oxaspiro[3.5]nonan-3-yl)-3-(trifluoromethoxy)benzamide
CID 122276365
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate
CID 115695448
methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
CID 130878031
2,2,2-trifluoroethyl N-(1-oxothian-4-yl)carbamate
CID 104594560

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate (CID 122276425) is 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate is O=C(NC1CCC12CCOCC2)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate?
The InChIKey is HAGMTMBWYNOLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)7-18-9(16)15-8-1-2-10(8)3-5-17-6-4-10/h8H,1-7H2,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate?
2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate has a molecular weight of 267.25 g/mol, XLogP of 2.23, 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-(7-oxaspiro[3.5]nonan-3-yl)carbamate is sourced from PubChem (CID 122276425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).