7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine

C12H16FN — CID 90019774

IUPAC7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
SMILESCC1CC(C)(C)c2c(F)ccc(N)c21
InChIInChI=1S/C12H16FN/c1-7-6-12(2,3)11-8(13)4-5-9(14)10(7)11/h4-5,7H,6,14H2,1-3H3
InChIKeyUSXBDIZEJAVICB-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.19
Rot. Bonds

About 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine

7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine (PubChem CID 90019774) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine.

Molecular Properties

Compound Name7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
PubChem CID90019774
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
SMILESCC1CC(C)(C)c2c(F)ccc(N)c21
InChIInChI=1S/C12H16FN/c1-7-6-12(2,3)11-8(13)4-5-9(14)10(7)11/h4-5,7H,6,14H2,1-3H3
InChIKeyUSXBDIZEJAVICB-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The IUPAC name of 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine (CID 90019774) is 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine.
What is the SMILES notation for 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The canonical SMILES for 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine is CC1CC(C)(C)c2c(F)ccc(N)c21.
What is the InChIKey of 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The InChIKey is USXBDIZEJAVICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-7-6-12(2,3)11-8(13)4-5-9(14)10(7)11/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine has a molecular weight of 193.26 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine is sourced from PubChem (CID 90019774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).