lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate

C9H9F3LiNO5S — CID 175482443

IUPAClithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate
SMILESCOc1ccc(OC(=O)NS(=O)(=O)C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C9H8F3NO5S.Li.H/c1-17-6-2-4-7(5-3-6)18-8(14)13-19(15,16)9(10,11)12;;/h2-5H,1H3,(H,13,14);;/q;+1;-1
InChIKeyOGKWBPVNTMOBJG-UHFFFAOYSA-N
MW307.18 g/mol
LogP-1.25
Rot. Bonds3

About lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate

lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate (PubChem CID 175482443) has the molecular formula C9H9F3LiNO5S and a molecular weight of 307.18 g/mol. Its IUPAC name is lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate.

Molecular Properties

Compound Namelithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate
PubChem CID175482443
Molecular FormulaC9H9F3LiNO5S
Molecular Weight307.18 g/mol
Exact Mass307.03
IUPAC Namelithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate
SMILESCOc1ccc(OC(=O)NS(=O)(=O)C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C9H8F3NO5S.Li.H/c1-17-6-2-4-7(5-3-6)18-8(14)13-19(15,16)9(10,11)12;;/h2-5H,1H3,(H,13,14);;/q;+1;-1
InChIKeyOGKWBPVNTMOBJG-UHFFFAOYSA-N
XLogP-1.25
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;hydride;(4-methoxyphenoxy)carbonyl trifluoromethanesulfonate
CID 175482452
bis(4-methoxyphenyl) propanedioate
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[4-(trifluoromethoxy)phenyl] N-chlorosulfonylcarbamate
CID 116799211
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796
CID 88814204
CID 88814204
1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
CID 129295019
(4-methoxyphenyl) N-(2-amino-2-methylpropyl)carbamate
CID 83824610
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
(4-methoxyphenyl) 2,2,3,3,4,4,4-heptafluorobutanoate
CID 532392
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
(4-methoxyphenyl) N-(2-methoxyethyl)carbamate
CID 121219063

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate?
The IUPAC name of lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate (CID 175482443) is lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate.
What is the SMILES notation for lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate?
The canonical SMILES for lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate is COc1ccc(OC(=O)NS(=O)(=O)C(F)(F)F)cc1.[H-].[Li+].
What is the InChIKey of lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate?
The InChIKey is OGKWBPVNTMOBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO5S.Li.H/c1-17-6-2-4-7(5-3-6)18-8(14)13-19(15,16)9(10,11)12;;/h2-5H,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate?
lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate has a molecular weight of 307.18 g/mol, XLogP of -1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate is sourced from PubChem (CID 175482443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).