2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate

C10H11F4N3O4 — CID 25239838

IUPAC2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate
SMILESCOc1cc(NC(=O)OCC(F)(F)C(F)F)nc(OC)n1
InChIInChI=1S/C10H11F4N3O4/c1-19-6-3-5(15-8(17-6)20-2)16-9(18)21-4-10(13,14)7(11)12/h3,7H,4H2,1-2H3,(H,15,16,17,18)
InChIKeyUOZDCWGMEYIIBP-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.94
Rot. Bonds6

About 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate

2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate (PubChem CID 25239838) has the molecular formula C10H11F4N3O4 and a molecular weight of 313.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate
PubChem CID25239838
Molecular FormulaC10H11F4N3O4
Molecular Weight313.21 g/mol
Exact Mass313.07
IUPAC Name2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate
SMILESCOc1cc(NC(=O)OCC(F)(F)C(F)F)nc(OC)n1
InChIInChI=1S/C10H11F4N3O4/c1-19-6-3-5(15-8(17-6)20-2)16-9(18)21-4-10(13,14)7(11)12/h3,7H,4H2,1-2H3,(H,15,16,17,18)
InChIKeyUOZDCWGMEYIIBP-UHFFFAOYSA-N
XLogP1.94
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,4,5,5,5-Pentafluoropentyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
CID 3122103
6-Methoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 606209
Ethyl [(4,6-dimethoxypyrimidin-2-yl)amino]carbono thioylcarbamate
CID 13607520
2,2,2-Trifluoroethyl 4-[(2,6-dimethoxypyrimidin-4-yl)amino]-4-oxobutanoate
CID 3297897
Ethyl 1-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
CID 7039775
2-(3,4,4-Trifluoro-1-oxo-3-butenyl)amino-4,6-dimethoxy-pyrimidine
CID 15335027
CID 19891268
CID 19891268
6-(Difluoromethoxy)-2-methoxypyrimidin-4-amine
CID 22909978
N-[4,6-bis(difluoromethoxy)pyrimidin-2-yl]acetamide
CID 54194358
[4,6-Bis(difluoromethoxy)pyrimidin-2-yl]urea
CID 54372752
CID 54453738
CID 54453738

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate (CID 25239838) is 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate is COc1cc(NC(=O)OCC(F)(F)C(F)F)nc(OC)n1.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate?
The InChIKey is UOZDCWGMEYIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3O4/c1-19-6-3-5(15-8(17-6)20-2)16-9(18)21-4-10(13,14)7(11)12/h3,7H,4H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate?
2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate has a molecular weight of 313.21 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl N-(2,6-dimethoxypyrimidin-4-yl)carbamate is sourced from PubChem (CID 25239838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).