methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

C5H5F6NO2 — CID 23234717

IUPACmethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCOC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO2/c1-14-3(13)12-2(4(6,7)8)5(9,10)11/h2H,1H3,(H,12,13)
InChIKeyFWUIQXHSQDQMQU-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.84
Rot. Bonds1

About methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (PubChem CID 23234717) has the molecular formula C5H5F6NO2 and a molecular weight of 225.09 g/mol. Its IUPAC name is methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
PubChem CID23234717
Molecular FormulaC5H5F6NO2
Molecular Weight225.09 g/mol
Exact Mass225.02
IUPAC Namemethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESCOC(=O)NC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6NO2/c1-14-3(13)12-2(4(6,7)8)5(9,10)11/h2H,1H3,(H,12,13)
InChIKeyFWUIQXHSQDQMQU-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 71672142
prop-2-ynyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 71672160
methyl N-(1-fluoroethyl)carbamate
CID 166647333
methyl N-[3-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 123904437
methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
CID 139305686
methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate
CID 2303347
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 2276888
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 10330133
methyl 2-hydroxy-2-(methoxycarbonylamino)acetate
CID 11412561

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The IUPAC name of methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CID 23234717) is methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
What is the SMILES notation for methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The canonical SMILES for methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is COC(=O)NC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The InChIKey is FWUIQXHSQDQMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6NO2/c1-14-3(13)12-2(4(6,7)8)5(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has a molecular weight of 225.09 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is sourced from PubChem (CID 23234717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).