(1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine

C9H8ClF2N — CID 66797950

IUPAC(1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine
SMILESN[C@@H]1c2ccc(Cl)cc2CC1(F)F
InChIInChI=1S/C9H8ClF2N/c10-6-1-2-7-5(3-6)4-9(11,12)8(7)13/h1-3,8H,4,13H2/t8-/m1/s1
InChIKeyHJFXTGNWZPCTSI-MRVPVSSYSA-N
MW203.62 g/mol
LogP2.53
Rot. Bonds

About (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine

(1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine (PubChem CID 66797950) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name(1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine
PubChem CID66797950
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name(1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine
SMILESN[C@@H]1c2ccc(Cl)cc2CC1(F)F
InChIInChI=1S/C9H8ClF2N/c10-6-1-2-7-5(3-6)4-9(11,12)8(7)13/h1-3,8H,4,13H2/t8-/m1/s1
InChIKeyHJFXTGNWZPCTSI-MRVPVSSYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine?
The IUPAC name of (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine (CID 66797950) is (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine.
What is the SMILES notation for (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine?
The canonical SMILES for (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine is N[C@@H]1c2ccc(Cl)cc2CC1(F)F.
What is the InChIKey of (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine?
The InChIKey is HJFXTGNWZPCTSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClF2N/c10-6-1-2-7-5(3-6)4-9(11,12)8(7)13/h1-3,8H,4,13H2/t8-/m1/s1.
What are the key properties of (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine?
(1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine has a molecular weight of 203.62 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-chloro-2,2-difluoro-1,3-dihydroinden-1-amine is sourced from PubChem (CID 66797950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).