(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine

C12H15ClFN — CID 81050362

IUPAC(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
SMILESCc1c(F)cc(Cl)c2c1[C@@H](N)CC2(C)C
InChIInChI=1S/C12H15ClFN/c1-6-8(14)4-7(13)11-10(6)9(15)5-12(11,2)3/h4,9H,5,15H2,1-3H3/t9-/m0/s1
InChIKeyHRXKQTFZGMINMO-VIFPVBQESA-N
MW227.71 g/mol
LogP3.47
Rot. Bonds

About (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine

(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine (PubChem CID 81050362) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
PubChem CID81050362
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine
SMILESCc1c(F)cc(Cl)c2c1[C@@H](N)CC2(C)C
InChIInChI=1S/C12H15ClFN/c1-6-8(14)4-7(13)11-10(6)9(15)5-12(11,2)3/h4,9H,5,15H2,1-3H3/t9-/m0/s1
InChIKeyHRXKQTFZGMINMO-VIFPVBQESA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine (CID 81050362) is (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine is Cc1c(F)cc(Cl)c2c1[C@@H](N)CC2(C)C.
What is the InChIKey of (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
The InChIKey is HRXKQTFZGMINMO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClFN/c1-6-8(14)4-7(13)11-10(6)9(15)5-12(11,2)3/h4,9H,5,15H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
(1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-chloro-6-fluoro-3,3,7-trimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 81050362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).