2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate

C9H16F3NO3 — CID 65173599

IUPAC2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)13(4-3-5-14)8(15)16-6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyIOMGVXAJIZKPSN-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.78
Rot. Bonds5

About 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate

2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate (PubChem CID 65173599) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
PubChem CID65173599
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CCCO)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(2)13(4-3-5-14)8(15)16-6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyIOMGVXAJIZKPSN-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.78
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-hydroxypropyl)-N-propan-2-ylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate (CID 65173599) is 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate is CC(C)N(CCCO)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate?
The InChIKey is IOMGVXAJIZKPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(2)13(4-3-5-14)8(15)16-6-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate?
2,2,2-trifluoroethyl N-(3-hydroxypropyl)-N-propan-2-ylcarbamate has a molecular weight of 243.22 g/mol, XLogP of 1.78, 5 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-hydroxypropyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 65173599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).