(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate

C10H10FNO3 — CID 174934664

IUPAC(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
SMILESNC(=O)OC1Cc2ccccc2C1(O)F
InChIInChI=1S/C10H10FNO3/c11-10(14)7-4-2-1-3-6(7)5-8(10)15-9(12)13/h1-4,8,14H,5H2,(H2,12,13)
InChIKeyMSSYSKPIXNBBCE-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.82
Rot. Bonds1

About (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate

(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate (PubChem CID 174934664) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate.

Molecular Properties

Compound Name(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
PubChem CID174934664
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate
SMILESNC(=O)OC1Cc2ccccc2C1(O)F
InChIInChI=1S/C10H10FNO3/c11-10(14)7-4-2-1-3-6(7)5-8(10)15-9(12)13/h1-4,8,14H,5H2,(H2,12,13)
InChIKeyMSSYSKPIXNBBCE-UHFFFAOYSA-N
XLogP0.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S,3S)-3-fluoro-3-hydroxy-1,2-dihydroindene-2-carboxylate
CID 57044445
[(1S,2S)-1-tert-butyl-2-methoxy-2,3-dihydroinden-1-yl] carbamate
CID 151373930
(1S,2R)-1-amino-2-hydroxy-2,3-dihydroindene-1-carboxamide
CID 22862755
tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
CID 143006218
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CID 144752906
carbamoyl 1-fluorocyclopropane-1-carboxylate
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(5,5-difluoro-1-methyl-2-oxo-3,4-dihydro-1-benzazepin-3-yl) carbamate
CID 175215761
[1-tert-butyl-1-[(1R)-1-naphthalen-1-ylethyl]-3,4-dihydro-2H-naphthalen-2-yl] carbamate
CID 118939152
3-amino-1-chloro-3,4-dihydro-2H-naphthalen-1-ol
CID 57031707
methyl 7-hydroxybicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 14546673
dimethyl (1S,9S)-1-methyltricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate
CID 71567947
1-(cyclopropylmethylamino)-2,3-dihydroindene-1-carboxamide
CID 60996783

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate?
The IUPAC name of (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate (CID 174934664) is (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate.
What is the SMILES notation for (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate?
The canonical SMILES for (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate is NC(=O)OC1Cc2ccccc2C1(O)F.
What is the InChIKey of (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate?
The InChIKey is MSSYSKPIXNBBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-10(14)7-4-2-1-3-6(7)5-8(10)15-9(12)13/h1-4,8,14H,5H2,(H2,12,13).
What are the key properties of (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate?
(3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate has a molecular weight of 211.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-hydroxy-1,2-dihydroinden-2-yl) carbamate is sourced from PubChem (CID 174934664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).