(4-fluoronaphthalen-1-yl) thiohypochlorite

C10H6ClFS — CID 142193631

IUPAC(4-fluoronaphthalen-1-yl) thiohypochlorite
SMILESFc1ccc(SCl)c2ccccc12
InChIInChI=1S/C10H6ClFS/c11-13-10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6H
InChIKeyMSMHGWMURUJYCM-UHFFFAOYSA-N
MW212.68 g/mol
LogP4.22
Rot. Bonds1

About (4-fluoronaphthalen-1-yl) thiohypochlorite

(4-fluoronaphthalen-1-yl) thiohypochlorite (PubChem CID 142193631) has the molecular formula C10H6ClFS and a molecular weight of 212.68 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl) thiohypochlorite.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl) thiohypochlorite
PubChem CID142193631
Molecular FormulaC10H6ClFS
Molecular Weight212.68 g/mol
Exact Mass211.99
IUPAC Name(4-fluoronaphthalen-1-yl) thiohypochlorite
SMILESFc1ccc(SCl)c2ccccc12
InChIInChI=1S/C10H6ClFS/c11-13-10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6H
InChIKeyMSMHGWMURUJYCM-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dichloro-1-(4-fluoronaphthalen-1-yl)ethanol
CID 164892255
1-fluoro-4-phenylnaphthalene
CID 46314926
(2-fluoro-5-methylphenyl) thiohypochlorite
CID 126731681
1-fluoro-4-(2-methylpropyl)naphthalene
CID 58853997
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
2-(4-fluoronaphthalen-1-yl)phenol
CID 174532409
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
4-fluoro-N-methylnaphthalen-1-amine
CID 67709157
2-(4-fluoronaphthalen-1-yl)benzene-1,3-diol
CID 19593567
4-chloro-2-(4-fluoronaphthalen-1-yl)aniline
CID 81274759
2,2,2-trichloro-1-(4-fluoronaphthalen-1-yl)ethanone
CID 146006982
4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine
CID 114088705

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl) thiohypochlorite?
The IUPAC name of (4-fluoronaphthalen-1-yl) thiohypochlorite (CID 142193631) is (4-fluoronaphthalen-1-yl) thiohypochlorite.
What is the SMILES notation for (4-fluoronaphthalen-1-yl) thiohypochlorite?
The canonical SMILES for (4-fluoronaphthalen-1-yl) thiohypochlorite is Fc1ccc(SCl)c2ccccc12.
What is the InChIKey of (4-fluoronaphthalen-1-yl) thiohypochlorite?
The InChIKey is MSMHGWMURUJYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFS/c11-13-10-6-5-9(12)7-3-1-2-4-8(7)10/h1-6H.
What are the key properties of (4-fluoronaphthalen-1-yl) thiohypochlorite?
(4-fluoronaphthalen-1-yl) thiohypochlorite has a molecular weight of 212.68 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl) thiohypochlorite is sourced from PubChem (CID 142193631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).