(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

C7H8F6N2O2 — CID 78146191

IUPAC(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC=NOC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6N2O2/c1-3-14-17-4(16)15-5(2,6(8,9)10)7(11,12)13/h3H,1-2H3,(H,15,16)
InChIKeyHFUUTTUWVDOEGB-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.60
Rot. Bonds2

About (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (PubChem CID 78146191) has the molecular formula C7H8F6N2O2 and a molecular weight of 266.14 g/mol. Its IUPAC name is (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Name(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
PubChem CID78146191
Molecular FormulaC7H8F6N2O2
Molecular Weight266.14 g/mol
Exact Mass266.05
IUPAC Name(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC=NOC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F6N2O2/c1-3-14-17-4(16)15-5(2,6(8,9)10)7(11,12)13/h3H,1-2H3,(H,15,16)
InChIKeyHFUUTTUWVDOEGB-UHFFFAOYSA-N
XLogP2.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-ethylideneamino] 2,2-dimethylpropanoate
CID 166590786
[(E)-ethylideneamino] carbamate
CID 141143420
1-tert-butyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 71672236
[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 163144490
3,3,3-trifluoro-2-methyl-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 79795491
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(methanesulfonamido)urea
CID 11500665
tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 22282534
N-[1-[(E)-ethylideneamino]oxyethenyl]formamide
CID 143561704
1-butan-2-yl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 3851301
tert-butyl N-(4-bromo-1,1,1-trifluoro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701574
(ethylideneamino) hydrogen carbonate;pyridine
CID 174441096
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate;urea
CID 87086671

Frequently Asked Questions

What is the IUPAC name of (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (CID 78146191) is (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is CC=NOC(=O)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is HFUUTTUWVDOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6N2O2/c1-3-14-17-4(16)15-5(2,6(8,9)10)7(11,12)13/h3H,1-2H3,(H,15,16).
What are the key properties of (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 266.14 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 78146191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).