ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate

C14H12F6N2O2 — CID 99640093

IUPACethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate
SMILESCCOC(=O)NC([C@@H]1C=Nc2ccccc21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F6N2O2/c1-2-24-11(23)22-12(13(15,16)17,14(18,19)20)9-7-21-10-6-4-3-5-8(9)10/h3-7,9H,2H2,1H3,(H,22,23)/t9-/m1/s1
InChIKeyBRNSIQAGYQAALT-SECBINFHSA-N
MW354.25 g/mol
LogP4.10
Rot. Bonds3

About ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate

ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate (PubChem CID 99640093) has the molecular formula C14H12F6N2O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate
PubChem CID99640093
Molecular FormulaC14H12F6N2O2
Molecular Weight354.25 g/mol
Exact Mass354.08
IUPAC Nameethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate
SMILESCCOC(=O)NC([C@@H]1C=Nc2ccccc21)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F6N2O2/c1-2-24-11(23)22-12(13(15,16)17,14(18,19)20)9-7-21-10-6-4-3-5-8(9)10/h3-7,9H,2H2,1H3,(H,22,23)/t9-/m1/s1
InChIKeyBRNSIQAGYQAALT-SECBINFHSA-N
XLogP4.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

ethyl 2,2,2-trifluoro-1-{[2-(3H-indol-3-yl)ethyl]amino}-1-(trifluoromethyl)ethylcarbamate
CID 582649
2,2,2-trifluoroethyl N-[2-(propan-2-yl)phenyl]carbamate
CID 39871401
ethyl N-[2-cyano-3-(4-fluoro-2-methylphenyl)iminopropanoyl]carbamate
CID 53692900
ethyl N-[2-cyano-3-[2-fluoro-4-(trifluoromethyl)phenyl]iminopropanoyl]carbamate
CID 53866257
ethyl N-[2-cyano-3-[2-methyl-4-(trifluoromethyl)phenyl]iminopropanoyl]carbamate
CID 54483191
ethyl N-[2-cyano-3-[4-(trifluoromethyl)phenyl]iminopropanoyl]carbamate
CID 54483564
ethyl N-[2-cyano-3-[2-(trifluoromethyl)phenyl]iminopropanoyl]carbamate
CID 54489918
[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-[2-[(3S)-3H-indol-3-yl]ethyl]azanium
CID 7236121
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[2-[(3S)-3H-indol-3-yl]ethylamino]propan-2-yl]carbamate
CID 7236122
[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-[2-[(3R)-3H-indol-3-yl]ethyl]azanium
CID 7236123
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[2-[(3R)-3H-indol-3-yl]ethylamino]propan-2-yl]carbamate
CID 7236124
ethyl 2,2,2-trifluoro-1-(3H-indol-3-yl)-1-(trifluoromethyl)ethylcarbamate
CID 56689965

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate?
The IUPAC name of ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate (CID 99640093) is ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate is CCOC(=O)NC([C@@H]1C=Nc2ccccc21)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate?
The InChIKey is BRNSIQAGYQAALT-SECBINFHSA-N. The full InChI is InChI=1S/C14H12F6N2O2/c1-2-24-11(23)22-12(13(15,16)17,14(18,19)20)9-7-21-10-6-4-3-5-8(9)10/h3-7,9H,2H2,1H3,(H,22,23)/t9-/m1/s1.
What are the key properties of ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate?
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate has a molecular weight of 354.25 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 99640093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).