4-chlorobenzenethiol;fluoroform

C7H6ClF3S — CID 174810562

IUPAC4-chlorobenzenethiol;fluoroform
SMILESFC(F)F.Sc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClS.CHF3/c7-5-1-3-6(8)4-2-5;2-1(3)4/h1-4,8H;1H
InChIKeyFTVKLHIJDKCDEC-UHFFFAOYSA-N
MW214.64 g/mol
LogP3.81
Rot. Bonds

About 4-chlorobenzenethiol;fluoroform

4-chlorobenzenethiol;fluoroform (PubChem CID 174810562) has the molecular formula C7H6ClF3S and a molecular weight of 214.64 g/mol. Its IUPAC name is 4-chlorobenzenethiol;fluoroform.

Molecular Properties

Compound Name4-chlorobenzenethiol;fluoroform
PubChem CID174810562
Molecular FormulaC7H6ClF3S
Molecular Weight214.64 g/mol
Exact Mass213.98
IUPAC Name4-chlorobenzenethiol;fluoroform
SMILESFC(F)F.Sc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClS.CHF3/c7-5-1-3-6(8)4-2-5;2-1(3)4/h1-4,8H;1H
InChIKeyFTVKLHIJDKCDEC-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.64
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bismuthane;4-chlorobenzenethiol
CID 173174465
4-chlorobenzenethiol;trihydrofluoride
CID 173023078
zinc 4-chlorobenzenethiol
CID 22352029
4-(difluoromethyl)benzenethiol
CID 19436147
benzenethiol;chlorobenzene
CID 158473676
azane;1,4-dichlorobenzene
CID 69330361
(4-chlorophenyl)-fluoromethanol
CID 174952192
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
CID 84673763
4-fluorobenzenethiol
CID 158914451
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
azane;1-chloro-4-(1,2,2-trifluoroethyl)benzene;hydrochloride
CID 175581102
4-[3-(4-chlorophenyl)-2-methylthiazet-4-yl]benzenethiol
CID 143047214

Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzenethiol;fluoroform?
The IUPAC name of 4-chlorobenzenethiol;fluoroform (CID 174810562) is 4-chlorobenzenethiol;fluoroform.
What is the SMILES notation for 4-chlorobenzenethiol;fluoroform?
The canonical SMILES for 4-chlorobenzenethiol;fluoroform is FC(F)F.Sc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzenethiol;fluoroform?
The InChIKey is FTVKLHIJDKCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClS.CHF3/c7-5-1-3-6(8)4-2-5;2-1(3)4/h1-4,8H;1H.
What are the key properties of 4-chlorobenzenethiol;fluoroform?
4-chlorobenzenethiol;fluoroform has a molecular weight of 214.64 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzenethiol;fluoroform is sourced from PubChem (CID 174810562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).