(3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine

C12H16FN — CID 129409712

IUPAC(3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
SMILESC[C@@H]1CC(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/t7-/m1/s1
InChIKeyUSXBDIZEJAVICB-SSDOTTSWSA-N
MW193.26 g/mol
LogP3.19
Rot. Bonds

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

(3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine (PubChem CID 129409712) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine.

Molecular Properties

Compound Name(3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
PubChem CID129409712
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine
SMILESC[C@@H]1CC(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/t7-/m1/s1
InChIKeyUSXBDIZEJAVICB-SSDOTTSWSA-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 (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The IUPAC name of (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine (CID 129409712) is (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine.
What is the SMILES notation for (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The canonical SMILES for (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine is C[C@@H]1CC(C)(C)c2c(F)ccc(N)c21.
What is the InChIKey of (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The InChIKey is USXBDIZEJAVICB-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine?
(3R)-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 (3R)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-amine is sourced from PubChem (CID 129409712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).