(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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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).