4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene

C12H10FNO2 — CID 158822803

IUPAC4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene
SMILESC/C(=C/C1=CCc2cccc(F)c21)[N+](=O)[O-]
InChIInChI=1S/C12H10FNO2/c1-8(14(15)16)7-10-6-5-9-3-2-4-11(13)12(9)10/h2-4,6-7H,5H2,1H3/b8-7-
InChIKeyODUPQZYYUFXVPF-FPLPWBNLSA-N
MW219.22 g/mol
LogP2.95
Rot. Bonds2

About 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene

4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene (PubChem CID 158822803) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene.

Molecular Properties

Compound Name4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene
PubChem CID158822803
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Name4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene
SMILESC/C(=C/C1=CCc2cccc(F)c21)[N+](=O)[O-]
InChIInChI=1S/C12H10FNO2/c1-8(14(15)16)7-10-6-5-9-3-2-4-11(13)12(9)10/h2-4,6-7H,5H2,1H3/b8-7-
InChIKeyODUPQZYYUFXVPF-FPLPWBNLSA-N
XLogP2.95
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene?
The IUPAC name of 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene (CID 158822803) is 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene.
What is the SMILES notation for 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene?
The canonical SMILES for 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene is C/C(=C/C1=CCc2cccc(F)c21)[N+](=O)[O-].
What is the InChIKey of 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene?
The InChIKey is ODUPQZYYUFXVPF-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-8(14(15)16)7-10-6-5-9-3-2-4-11(13)12(9)10/h2-4,6-7H,5H2,1H3/b8-7-.
What are the key properties of 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene?
4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene has a molecular weight of 219.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(Z)-2-nitroprop-1-enyl]-1H-indene is sourced from PubChem (CID 158822803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).