2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate

C10H12F9NO2 — CID 71672155

IUPAC2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
SMILESCCC(C)(C)OC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F9NO2/c1-4-6(2,3)22-5(21)20-7(8(11,12)13,9(14,15)16)10(17,18)19/h4H2,1-3H3,(H,20,21)
InChIKeyTVRVALDEKIGRTP-UHFFFAOYSA-N
MW349.19 g/mol
LogP4.33
Rot. Bonds3

About 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate

2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate (PubChem CID 71672155) has the molecular formula C10H12F9NO2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
PubChem CID71672155
Molecular FormulaC10H12F9NO2
Molecular Weight349.19 g/mol
Exact Mass349.07
IUPAC Name2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
SMILESCCC(C)(C)OC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F9NO2/c1-4-6(2,3)22-5(21)20-7(8(11,12)13,9(14,15)16)10(17,18)19/h4H2,1-3H3,(H,20,21)
InChIKeyTVRVALDEKIGRTP-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate with MolForge

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Related Compounds

hexyl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate
CID 71672156
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
(1-iodo-2-methylpropan-2-yl) N-(1,1,1-trifluorobutan-2-yl)carbamate
CID 162553733
2-methylbutan-2-yl carbonochloridate
CID 15051328
methyl 4-(2-methylbutan-2-yloxycarbonylamino)butanoate
CID 90076099
tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 22282534
2-methylbutan-2-yl 2-(methylamino)acetate
CID 134215865
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146
3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate
CID 88972316
methyl (2S)-2-amino-3-(2-methylbutan-2-yloxycarbonylamino)propanoate
CID 131977674
(2-methyl-4-oxobutan-2-yl) N-tert-butylcarbamate
CID 175238787
fluoro 2-fluoro-2-(trifluoromethyl)butanoate
CID 57470647

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate (CID 71672155) is 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate is CCC(C)(C)OC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
The InChIKey is TVRVALDEKIGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F9NO2/c1-4-6(2,3)22-5(21)20-7(8(11,12)13,9(14,15)16)10(17,18)19/h4H2,1-3H3,(H,20,21).
What are the key properties of 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate?
2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate has a molecular weight of 349.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]carbamate is sourced from PubChem (CID 71672155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).