1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene

C9H4F12S — CID 138676934

IUPAC1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccsc1
InChIInChI=1S/C5F12.C4H4S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17;1-2-4-5-3-1/h;1-4H
InChIKeyVDDJPHNXYADEDM-UHFFFAOYSA-N
MW372.17 g/mol
LogP5.76
Rot. Bonds2

About 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene

1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene (PubChem CID 138676934) has the molecular formula C9H4F12S and a molecular weight of 372.17 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene
PubChem CID138676934
Molecular FormulaC9H4F12S
Molecular Weight372.17 g/mol
Exact Mass371.98
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccsc1
InChIInChI=1S/C5F12.C4H4S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17;1-2-4-5-3-1/h;1-4H
InChIKeyVDDJPHNXYADEDM-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.17
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
phosphane;thiophene
CID 162184194
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
thiophene;dihydrofluoride
CID 175081448
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene
CID 14400022
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
CID 10601524
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-methylnonan-2-amine
CID 87970536
1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluorohexadecane
CID 152609331
formaldehyde;thiophene;zinc
CID 174449094

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene (CID 138676934) is 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccsc1.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene?
The InChIKey is VDDJPHNXYADEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12.C4H4S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17;1-2-4-5-3-1/h;1-4H.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene?
1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene has a molecular weight of 372.17 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene is sourced from PubChem (CID 138676934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).