2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol

C5H3F9S — CID 14492232

IUPAC2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CS
InChIInChI=1S/C5H3F9S/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2
InChIKeyBKRGMSAQLNOXNF-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.38
Rot. Bonds3

About 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol

2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol (PubChem CID 14492232) has the molecular formula C5H3F9S and a molecular weight of 266.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol
PubChem CID14492232
Molecular FormulaC5H3F9S
Molecular Weight266.13 g/mol
Exact Mass265.98
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CS
InChIInChI=1S/C5H3F9S/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2
InChIKeyBKRGMSAQLNOXNF-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Perfluorobutyl)ethanethiol
CID 109607
Thiols, C4-10, gamma-omega-perfluoro
CID 109606
4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
Hexafluoroisopropyl mercaptan
CID 20289257
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
1,1,1,4,4,4-Hexafluoro-3-sulfanylbutane-2-thione
CID 91568617
2,2,3,3,3-Pentafluoropropane-1-thiol
CID 17787412
4,4,5,5,6,6,6-Heptafluorohexane-1-thiol
CID 20130124
5,5,5-Trifluoropentylmercaptan
CID 56604698
3,3,4,4,4-Pentafluorobutane-2-thiol
CID 57032580
2,2,3,3,4,4,5,5-Octafluoropentane-1-thiol
CID 57187058
2,2,3,4,4,4-Hexafluorobutan-1-thiol
CID 57302437

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol (CID 14492232) is 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CS.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol?
The InChIKey is BKRGMSAQLNOXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9S/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol?
2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol has a molecular weight of 266.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoropentane-1-thiol is sourced from PubChem (CID 14492232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).