7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one

C10H11FO — CID 143510807

IUPAC7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2=C1C=C(F)CC2
InChIInChI=1S/C10H11FO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h6H,1-5H2
InChIKeyWTXMKEQYGBYYKW-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.68
Rot. Bonds

About 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one

7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one (PubChem CID 143510807) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one
PubChem CID143510807
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CCCC2=C1C=C(F)CC2
InChIInChI=1S/C10H11FO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h6H,1-5H2
InChIKeyWTXMKEQYGBYYKW-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one (CID 143510807) is 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one is O=C1CCCC2=C1C=C(F)CC2.
What is the InChIKey of 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
The InChIKey is WTXMKEQYGBYYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h6H,1-5H2.
What are the key properties of 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one?
7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one has a molecular weight of 166.19 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,4,5,6-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 143510807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).