2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene

C12H6ClF5S — CID 55149357

IUPAC2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
SMILESFc1c(F)c(F)c(C(Cl)Cc2cccs2)c(F)c1F
InChIInChI=1S/C12H6ClF5S/c13-6(4-5-2-1-3-19-5)7-8(14)10(16)12(18)11(17)9(7)15/h1-3,6H,4H2
InChIKeyMFKCZNBAIGKYHP-UHFFFAOYSA-N
MW312.69 g/mol
LogP4.97
Rot. Bonds3

About 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene

2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene (PubChem CID 55149357) has the molecular formula C12H6ClF5S and a molecular weight of 312.69 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
PubChem CID55149357
Molecular FormulaC12H6ClF5S
Molecular Weight312.69 g/mol
Exact Mass311.98
IUPAC Name2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene
SMILESFc1c(F)c(F)c(C(Cl)Cc2cccs2)c(F)c1F
InChIInChI=1S/C12H6ClF5S/c13-6(4-5-2-1-3-19-5)7-8(14)10(16)12(18)11(17)9(7)15/h1-3,6H,4H2
InChIKeyMFKCZNBAIGKYHP-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.69
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-2-(2-chloro-4-fluorophenyl)ethyl]thiophene
CID 63519031
2-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79206449
2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
CID 63520249
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
CID 114375554
3-chloro-2-(1-chloro-2-thiophen-2-ylethyl)-4-methylthiophene
CID 103405682
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
CID 64713103
2-thiophen-2-yl-1-(2,4,6-trifluorophenyl)ethanol
CID 65100301
2-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 55149169
1-(3-bromo-2,6-difluorophenyl)-2-thiophen-2-ylethanol
CID 106941958
2-[2-(6-bromonaphthalen-2-yl)-2-chloroethyl]thiophene
CID 113292793

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene?
The IUPAC name of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene (CID 55149357) is 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene?
The canonical SMILES for 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene is Fc1c(F)c(F)c(C(Cl)Cc2cccs2)c(F)c1F.
What is the InChIKey of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene?
The InChIKey is MFKCZNBAIGKYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF5S/c13-6(4-5-2-1-3-19-5)7-8(14)10(16)12(18)11(17)9(7)15/h1-3,6H,4H2.
What are the key properties of 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene?
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene has a molecular weight of 312.69 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]thiophene is sourced from PubChem (CID 55149357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).