(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid

C10H10FNO3 — CID 68650326

IUPAC(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid
SMILESO=C(O)NC1Cc2c(F)cccc2C1O
InChIInChI=1S/C10H10FNO3/c11-7-3-1-2-5-6(7)4-8(9(5)13)12-10(14)15/h1-3,8-9,12-13H,4H2,(H,14,15)
InChIKeyCZSPCCCVYKCNGE-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.05
Rot. Bonds1

About (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid

(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid (PubChem CID 68650326) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid
PubChem CID68650326
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid
SMILESO=C(O)NC1Cc2c(F)cccc2C1O
InChIInChI=1S/C10H10FNO3/c11-7-3-1-2-5-6(7)4-8(9(5)13)12-10(14)15/h1-3,8-9,12-13H,4H2,(H,14,15)
InChIKeyCZSPCCCVYKCNGE-UHFFFAOYSA-N
XLogP1.05
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 203118
(1R,2R)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 10898857
2-Aminoindan-1-ol
CID 85794
1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, monohydrochloride
CID 54552
rac-(1R,2S)-2-amino-2,3-dihydro-1H-inden-1-ol
CID 11008081
tert-butyl N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11021276
rac-(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 12550281
tert-Butyl ((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 17998891
prop-2-ynyl N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 102177606
(1S,2S)-2-Amino-2,3-dihydro-1H-inden-1-ol
CID 11137330
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

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
The IUPAC name of (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid (CID 68650326) is (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid.
What is the SMILES notation for (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
The canonical SMILES for (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid is O=C(O)NC1Cc2c(F)cccc2C1O.
What is the InChIKey of (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
The InChIKey is CZSPCCCVYKCNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-7-3-1-2-5-6(7)4-8(9(5)13)12-10(14)15/h1-3,8-9,12-13H,4H2,(H,14,15).
What are the key properties of (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid?
(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid has a molecular weight of 211.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamic acid is sourced from PubChem (CID 68650326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).