3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride

C9H10ClF2N — CID 121235721

IUPAC3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride
SMILESCl.NC1CC(F)(F)c2ccccc21
InChIInChI=1S/C9H9F2N.ClH/c10-9(11)5-8(12)6-3-1-2-4-7(6)9;/h1-4,8H,5,12H2;1H
InChIKeyATYKYTHOSDMEBO-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.60
Rot. Bonds

About 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride

3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride (PubChem CID 121235721) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride
PubChem CID121235721
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride
SMILESCl.NC1CC(F)(F)c2ccccc21
InChIInChI=1S/C9H9F2N.ClH/c10-9(11)5-8(12)6-3-1-2-4-7(6)9;/h1-4,8H,5,12H2;1H
InChIKeyATYKYTHOSDMEBO-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride?
The IUPAC name of 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride (CID 121235721) is 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride is Cl.NC1CC(F)(F)c2ccccc21.
What is the InChIKey of 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride?
The InChIKey is ATYKYTHOSDMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N.ClH/c10-9(11)5-8(12)6-3-1-2-4-7(6)9;/h1-4,8H,5,12H2;1H.
What are the key properties of 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride?
3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-dihydroinden-1-amine;hydrochloride is sourced from PubChem (CID 121235721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).