(2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol

C10H11F2NO — CID 18646609

IUPAC(2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol
SMILESN[C@@H]1Cc2ccccc2C(F)(F)[C@@H]1O
InChIInChI=1S/C10H11F2NO/c11-10(12)7-4-2-1-3-6(7)5-8(13)9(10)14/h1-4,8-9,14H,5,13H2/t8-,9-/m1/s1
InChIKeyLLKDGWDJNPBFRC-RKDXNWHRSA-N
MW199.20 g/mol
LogP1.02
Rot. Bonds

About (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol

(2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol (PubChem CID 18646609) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol
PubChem CID18646609
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name(2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol
SMILESN[C@@H]1Cc2ccccc2C(F)(F)[C@@H]1O
InChIInChI=1S/C10H11F2NO/c11-10(12)7-4-2-1-3-6(7)5-8(13)9(10)14/h1-4,8-9,14H,5,13H2/t8-,9-/m1/s1
InChIKeyLLKDGWDJNPBFRC-RKDXNWHRSA-N
XLogP1.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol?
The IUPAC name of (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol (CID 18646609) is (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol is N[C@@H]1Cc2ccccc2C(F)(F)[C@@H]1O.
What is the InChIKey of (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol?
The InChIKey is LLKDGWDJNPBFRC-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)7-4-2-1-3-6(7)5-8(13)9(10)14/h1-4,8-9,14H,5,13H2/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol?
(2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol has a molecular weight of 199.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol is sourced from PubChem (CID 18646609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).