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

C6H8F5NO3 — CID 141285834

IUPAC2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
SMILESCOCNC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO3/c1-14-3-12-4(13)15-2-5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13)
InChIKeyXBKWCQQMFKAVLO-UHFFFAOYSA-N
MW237.12 g/mol
LogP1.51
Rot. Bonds4

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

2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate (PubChem CID 141285834) has the molecular formula C6H8F5NO3 and a molecular weight of 237.12 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
PubChem CID141285834
Molecular FormulaC6H8F5NO3
Molecular Weight237.12 g/mol
Exact Mass237.04
IUPAC Name2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate
SMILESCOCNC(=O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO3/c1-14-3-12-4(13)15-2-5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13)
InChIKeyXBKWCQQMFKAVLO-UHFFFAOYSA-N
XLogP1.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,3-pentafluoropropyl N-methylcarbamate
CID 141285838
methyl N-(methoxymethyl)carbamate
CID 12599260
propyl N-(methoxymethyl)carbamate
CID 142704391
2,2,3,3,4,4,4-heptafluorobutyl N-butylcarbamate
CID 88880024
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate
CID 23155340
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate
CID 88898193
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
CID 154691532

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate (CID 141285834) is 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate is COCNC(=O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate?
The InChIKey is XBKWCQQMFKAVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO3/c1-14-3-12-4(13)15-2-5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13).
What are the key properties of 2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate?
2,2,3,3,3-pentafluoropropyl N-(methoxymethyl)carbamate has a molecular weight of 237.12 g/mol, XLogP of 1.51, 4 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-(methoxymethyl)carbamate is sourced from PubChem (CID 141285834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).