tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

C16H22FNO3 — CID 134337207

IUPACtert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCc1cc2c(c(F)c1O)CCC2N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H22FNO3/c1-9-8-11-10(13(17)14(9)19)6-7-12(11)18(5)15(20)21-16(2,3)4/h8,12,19H,6-7H2,1-5H3
InChIKeyHNTUESQCSQXDQC-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.69
Rot. Bonds1

About tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate

tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (PubChem CID 134337207) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
PubChem CID134337207
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
SMILESCc1cc2c(c(F)c1O)CCC2N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H22FNO3/c1-9-8-11-10(13(17)14(9)19)6-7-12(11)18(5)15(20)21-16(2,3)4/h8,12,19H,6-7H2,1-5H3
InChIKeyHNTUESQCSQXDQC-UHFFFAOYSA-N
XLogP3.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-methylcarbamic acid
CID 134328189
tert-butyl N-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 142303011
tert-butyl N-[3-(2,4-difluorophenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-yl]-N-methylcarbamate
CID 131748618
methyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59505713
tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 11810576
tert-butyl N-[(2E)-2-ethylidene-3-methylidenecyclopentyl]-N-methylcarbamate
CID 134341594
tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]-N-methylcarbamate
CID 171905752
tert-butyl N-[(7R)-2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-N-methylcarbamate
CID 171624591
(1S)-1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686812
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
methyl (3S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1-benzofuran-6-carboxylate
CID 171487774
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
CID 99579006

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate (CID 134337207) is tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is Cc1cc2c(c(F)c1O)CCC2N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
The InChIKey is HNTUESQCSQXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-9-8-11-10(13(17)14(9)19)6-7-12(11)18(5)15(20)21-16(2,3)4/h8,12,19H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate?
tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate has a molecular weight of 295.35 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-5-hydroxy-6-methyl-2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate is sourced from PubChem (CID 134337207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).