N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide

C10H12FNO — CID 89215020

IUPACN-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide
SMILESO=CNC1C=C2CC(F)CC2=CC1
InChIInChI=1S/C10H12FNO/c11-9-3-7-1-2-10(12-6-13)5-8(7)4-9/h1,5-6,9-10H,2-4H2,(H,12,13)
InChIKeyAOJUSTXGHFWUDL-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.49
Rot. Bonds2

About N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide

N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide (PubChem CID 89215020) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide.

Molecular Properties

Compound NameN-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide
PubChem CID89215020
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide
SMILESO=CNC1C=C2CC(F)CC2=CC1
InChIInChI=1S/C10H12FNO/c11-9-3-7-1-2-10(12-6-13)5-8(7)4-9/h1,5-6,9-10H,2-4H2,(H,12,13)
InChIKeyAOJUSTXGHFWUDL-UHFFFAOYSA-N
XLogP1.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide?
The IUPAC name of N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide (CID 89215020) is N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide.
What is the SMILES notation for N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide?
The canonical SMILES for N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide is O=CNC1C=C2CC(F)CC2=CC1.
What is the InChIKey of N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide?
The InChIKey is AOJUSTXGHFWUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-3-7-1-2-10(12-6-13)5-8(7)4-9/h1,5-6,9-10H,2-4H2,(H,12,13).
What are the key properties of N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide?
N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide has a molecular weight of 181.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide is sourced from PubChem (CID 89215020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).