2-(6,6,6-trifluorohexylsulfanyl)thiophene

C10H13F3S2 — CID 19813492

IUPAC2-(6,6,6-trifluorohexylsulfanyl)thiophene
SMILESFC(F)(F)CCCCCSc1cccs1
InChIInChI=1S/C10H13F3S2/c11-10(12,13)6-2-1-3-7-14-9-5-4-8-15-9/h4-5,8H,1-3,6-7H2
InChIKeyDWIVVGZPAIOJGV-UHFFFAOYSA-N
MW254.34 g/mol
LogP4.96
Rot. Bonds6

About 2-(6,6,6-trifluorohexylsulfanyl)thiophene

2-(6,6,6-trifluorohexylsulfanyl)thiophene (PubChem CID 19813492) has the molecular formula C10H13F3S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(6,6,6-trifluorohexylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(6,6,6-trifluorohexylsulfanyl)thiophene
PubChem CID19813492
Molecular FormulaC10H13F3S2
Molecular Weight254.34 g/mol
Exact Mass254.04
IUPAC Name2-(6,6,6-trifluorohexylsulfanyl)thiophene
SMILESFC(F)(F)CCCCCSc1cccs1
InChIInChI=1S/C10H13F3S2/c11-10(12,13)6-2-1-3-7-14-9-5-4-8-15-9/h4-5,8H,1-3,6-7H2
InChIKeyDWIVVGZPAIOJGV-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)sulfanylthiophene;2-(4-methoxyphenyl)sulfanylthiophene;2-pentylsulfanylthiophene;2-(6,6,6-trifluorohexylsulfanyl)thiophene
CID 158312087
2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
CID 79361582
5-thiophen-2-ylsulfanylpentanehydrazide
CID 63580812
1-(3-thiophen-2-ylsulfanylpropyl)piperazine
CID 68783975
2-(3,4,4-trifluorobut-3-enylsulfanyl)thiophene
CID 11276152
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
CID 64820619
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
CID 62576495
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
2-ethyl-2-(ethylamino)-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807267
1-(3-thiophen-2-ylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 19372867
1-(3-thiophen-2-ylsulfanylpropyl)pyrazol-3-amine
CID 63311120
N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
CID 64612532

Frequently Asked Questions

What is the IUPAC name of 2-(6,6,6-trifluorohexylsulfanyl)thiophene?
The IUPAC name of 2-(6,6,6-trifluorohexylsulfanyl)thiophene (CID 19813492) is 2-(6,6,6-trifluorohexylsulfanyl)thiophene.
What is the SMILES notation for 2-(6,6,6-trifluorohexylsulfanyl)thiophene?
The canonical SMILES for 2-(6,6,6-trifluorohexylsulfanyl)thiophene is FC(F)(F)CCCCCSc1cccs1.
What is the InChIKey of 2-(6,6,6-trifluorohexylsulfanyl)thiophene?
The InChIKey is DWIVVGZPAIOJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3S2/c11-10(12,13)6-2-1-3-7-14-9-5-4-8-15-9/h4-5,8H,1-3,6-7H2.
What are the key properties of 2-(6,6,6-trifluorohexylsulfanyl)thiophene?
2-(6,6,6-trifluorohexylsulfanyl)thiophene has a molecular weight of 254.34 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6,6-trifluorohexylsulfanyl)thiophene is sourced from PubChem (CID 19813492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).