methyl N-(2,2,3,3-tetrafluoropropyl)carbamate

C5H7F4NO2 — CID 103528765

IUPACmethyl N-(2,2,3,3-tetrafluoropropyl)carbamate
SMILESCOC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO2/c1-12-4(11)10-2-5(8,9)3(6)7/h3H,2H2,1H3,(H,10,11)
InChIKeyDBBSOXQSBZDLOT-UHFFFAOYSA-N
MW189.11 g/mol
LogP1.24
Rot. Bonds3

About methyl N-(2,2,3,3-tetrafluoropropyl)carbamate

methyl N-(2,2,3,3-tetrafluoropropyl)carbamate (PubChem CID 103528765) has the molecular formula C5H7F4NO2 and a molecular weight of 189.11 g/mol. Its IUPAC name is methyl N-(2,2,3,3-tetrafluoropropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2,3,3-tetrafluoropropyl)carbamate
PubChem CID103528765
Molecular FormulaC5H7F4NO2
Molecular Weight189.11 g/mol
Exact Mass189.04
IUPAC Namemethyl N-(2,2,3,3-tetrafluoropropyl)carbamate
SMILESCOC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C5H7F4NO2/c1-12-4(11)10-2-5(8,9)3(6)7/h3H,2H2,1H3,(H,10,11)
InChIKeyDBBSOXQSBZDLOT-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
3-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291651
ethyl 2-oxo-2-(2,2,3,3-tetrafluoropropylamino)acetate
CID 106295297
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
2-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528341
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106295758
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
methyl 3,3,4,4-tetrafluorobutanoate
CID 131228830
1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
CID 106291111
4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106295708
2-amino-2-methyl-N-(2,2,3,3-tetrafluoropropyl)butanamide
CID 106291936

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2,3,3-tetrafluoropropyl)carbamate?
The IUPAC name of methyl N-(2,2,3,3-tetrafluoropropyl)carbamate (CID 103528765) is methyl N-(2,2,3,3-tetrafluoropropyl)carbamate.
What is the SMILES notation for methyl N-(2,2,3,3-tetrafluoropropyl)carbamate?
The canonical SMILES for methyl N-(2,2,3,3-tetrafluoropropyl)carbamate is COC(=O)NCC(F)(F)C(F)F.
What is the InChIKey of methyl N-(2,2,3,3-tetrafluoropropyl)carbamate?
The InChIKey is DBBSOXQSBZDLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NO2/c1-12-4(11)10-2-5(8,9)3(6)7/h3H,2H2,1H3,(H,10,11).
What are the key properties of methyl N-(2,2,3,3-tetrafluoropropyl)carbamate?
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate has a molecular weight of 189.11 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2,3,3-tetrafluoropropyl)carbamate is sourced from PubChem (CID 103528765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).