ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate

C12H14FNO3 — CID 123471771

IUPACethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCCOC(=O)NC1Cc2cc(F)ccc2C1O
InChIInChI=1S/C12H14FNO3/c1-2-17-12(16)14-10-6-7-5-8(13)3-4-9(7)11(10)15/h3-5,10-11,15H,2,6H2,1H3,(H,14,16)
InChIKeyAOYZZMNHTTWKCA-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.53
Rot. Bonds2

About ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate

ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate (PubChem CID 123471771) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
PubChem CID123471771
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Nameethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCCOC(=O)NC1Cc2cc(F)ccc2C1O
InChIInChI=1S/C12H14FNO3/c1-2-17-12(16)14-10-6-7-5-8(13)3-4-9(7)11(10)15/h3-5,10-11,15H,2,6H2,1H3,(H,14,16)
InChIKeyAOYZZMNHTTWKCA-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, monohydrochloride
CID 54552
tert-butyl N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11021276
tert-Butyl ((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 17998891
tert-butyl N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]carbamate
CID 51441475
prop-2-ynyl N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 102177606
ethyl N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 10944080
tert-butyl N-((2S)-2-(2-fluorophenyl)-2-hydroxyethyl)carbamate
CID 52908201
rac-tert-butyl N-((1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 165885854
N-[(1R,2R)-4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 134967761
tert-butyl N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxybut-3-en-2-yl]carbamate
CID 139051109
2H-Indeno[2,1-d]oxazol-2-one, 3,3a,4,8b-tetrahydro-, cis-
CID 86752856
tert-butyl N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 75431361

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
The IUPAC name of ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate (CID 123471771) is ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate is CCOC(=O)NC1Cc2cc(F)ccc2C1O.
What is the InChIKey of ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
The InChIKey is AOYZZMNHTTWKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-2-17-12(16)14-10-6-7-5-8(13)3-4-9(7)11(10)15/h3-5,10-11,15H,2,6H2,1H3,(H,14,16).
What are the key properties of ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate has a molecular weight of 239.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate is sourced from PubChem (CID 123471771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).