(2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine

C10H11ClFN — CID 131191332

IUPAC(2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@@H]1CCc2c(Cl)cc(F)cc2C1
InChIInChI=1S/C10H11ClFN/c11-10-5-7(12)3-6-4-8(13)1-2-9(6)10/h3,5,8H,1-2,4,13H2/t8-/m1/s1
InChIKeyFHWKOVPGHVDFPZ-MRVPVSSYSA-N
MW199.66 g/mol
LogP2.30
Rot. Bonds

About (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 131191332) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID131191332
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@@H]1CCc2c(Cl)cc(F)cc2C1
InChIInChI=1S/C10H11ClFN/c11-10-5-7(12)3-6-4-8(13)1-2-9(6)10/h3,5,8H,1-2,4,13H2/t8-/m1/s1
InChIKeyFHWKOVPGHVDFPZ-MRVPVSSYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine (CID 131191332) is (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine is N[C@@H]1CCc2c(Cl)cc(F)cc2C1.
What is the InChIKey of (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FHWKOVPGHVDFPZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClFN/c11-10-5-7(12)3-6-4-8(13)1-2-9(6)10/h3,5,8H,1-2,4,13H2/t8-/m1/s1.
What are the key properties of (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 199.66 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-chloro-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 131191332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).