2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate

C7H10F5NO3 — CID 141285831

IUPAC2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO3/c1-15-3-2-13-5(14)16-4-6(8,9)7(10,11)12/h2-4H2,1H3,(H,13,14)
InChIKeyPZHGAXVWISMPLM-UHFFFAOYSA-N
MW251.15 g/mol
LogP1.56
Rot. Bonds5

About 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate

2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate (PubChem CID 141285831) has the molecular formula C7H10F5NO3 and a molecular weight of 251.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate
PubChem CID141285831
Molecular FormulaC7H10F5NO3
Molecular Weight251.15 g/mol
Exact Mass251.06
IUPAC Name2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F5NO3/c1-15-3-2-13-5(14)16-4-6(8,9)7(10,11)12/h2-4H2,1H3,(H,13,14)
InChIKeyPZHGAXVWISMPLM-UHFFFAOYSA-N
XLogP1.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoroethyl N-(propan-2-yl)carbamate
CID 40097458
2,2,2-trifluoroethyl N-ethylcarbamate
CID 45791478
2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate
CID 45792048
2,2,2-Trifluoroethyl N-(1-methylpropyl)carbamate
CID 47002264
2,2,2-trifluoroethyl N-(2-methylpropyl)carbamate
CID 15228012
2,2,2-trifluoroethyl N-(2,2-difluoroethyl)carbamate
CID 79078687
2,2,2-Trifluoro-1-trifluoromethylethyl propylcarbamate
CID 129869182
Methoxyethyl urethane
CID 3281290
1,1,1-Trifluoropropan-2-yl (2-hydroxyethyl)carbamate
CID 3629883
2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate
CID 50989295
2,2,2-trifluoroethyl N-butylcarbamate
CID 16226837
ethyl N-(1,1,1-trifluoropropan-2-yl)carbamate
CID 18439596

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate (CID 141285831) is 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate is COCCNC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate?
The InChIKey is PZHGAXVWISMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5NO3/c1-15-3-2-13-5(14)16-4-6(8,9)7(10,11)12/h2-4H2,1H3,(H,13,14).
What are the key properties of 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate?
2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate has a molecular weight of 251.15 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 141285831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).