2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol

C4H5Cl2F3S2 — CID 173323507

IUPAC2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol
SMILESFC(Cl)C(S)SCC(F)(F)Cl
InChIInChI=1S/C4H5Cl2F3S2/c5-2(7)3(10)11-1-4(6,8)9/h2-3,10H,1H2
InChIKeyBISWYWUVELWFFL-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.34
Rot. Bonds4

About 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol

2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol (PubChem CID 173323507) has the molecular formula C4H5Cl2F3S2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol
PubChem CID173323507
Molecular FormulaC4H5Cl2F3S2
Molecular Weight245.12 g/mol
Exact Mass243.92
IUPAC Name2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol
SMILESFC(Cl)C(S)SCC(F)(F)Cl
InChIInChI=1S/C4H5Cl2F3S2/c5-2(7)3(10)11-1-4(6,8)9/h2-3,10H,1H2
InChIKeyBISWYWUVELWFFL-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trichloro-1-(2-chloro-2-fluoroethyl)sulfanylethanethiol
CID 90702998
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane
CID 102328647
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
CID 57001137
1,3-dichloro-1,1,3-trifluoropropane;3,3-dichloro-1,1,1-trifluoropropane
CID 159624580
1,1,1,3-tetrachloro-2,3-difluoropropane
CID 163360426
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
1,2,2,2-tetrafluoroethanethiol
CID 57068914
1,1,2-trichloroethane-1,2-dithiol
CID 149434978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol?
The IUPAC name of 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol (CID 173323507) is 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol.
What is the SMILES notation for 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol?
The canonical SMILES for 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol is FC(Cl)C(S)SCC(F)(F)Cl.
What is the InChIKey of 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol?
The InChIKey is BISWYWUVELWFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2F3S2/c5-2(7)3(10)11-1-4(6,8)9/h2-3,10H,1H2.
What are the key properties of 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol?
2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol has a molecular weight of 245.12 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-2,2-difluoroethyl)sulfanyl-2-fluoroethanethiol is sourced from PubChem (CID 173323507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).