4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide

C10H10ClFN2 — CID 121451058

IUPAC4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide
SMILES[H]/N=C(\N)C1Cc2ccc(F)c(Cl)c2C1
InChIInChI=1S/C10H10ClFN2/c11-9-7-4-6(10(13)14)3-5(7)1-2-8(9)12/h1-2,6H,3-4H2,(H3,13,14)
InChIKeyJPDNOJYZYNOJEX-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.13
Rot. Bonds1

About 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide

4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide (PubChem CID 121451058) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide.

Molecular Properties

Compound Name4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide
PubChem CID121451058
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide
SMILES[H]/N=C(\N)C1Cc2ccc(F)c(Cl)c2C1
InChIInChI=1S/C10H10ClFN2/c11-9-7-4-6(10(13)14)3-5(7)1-2-8(9)12/h1-2,6H,3-4H2,(H3,13,14)
InChIKeyJPDNOJYZYNOJEX-UHFFFAOYSA-N
XLogP2.13
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide?
The IUPAC name of 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide (CID 121451058) is 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide.
What is the SMILES notation for 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide?
The canonical SMILES for 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide is [H]/N=C(\N)C1Cc2ccc(F)c(Cl)c2C1.
What is the InChIKey of 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide?
The InChIKey is JPDNOJYZYNOJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c11-9-7-4-6(10(13)14)3-5(7)1-2-8(9)12/h1-2,6H,3-4H2,(H3,13,14).
What are the key properties of 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide?
4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide has a molecular weight of 212.66 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2,3-dihydro-1H-indene-2-carboximidamide is sourced from PubChem (CID 121451058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).