5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol

C5H3ClF8O — CID 75406208

IUPAC5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C5H3ClF8O/c6-5(13,14)4(11,12)3(9,10)2(7,8)1-15/h15H,1H2
InChIKeyKGWZMKSODUPSGD-UHFFFAOYSA-N
MW266.51 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol

5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol (PubChem CID 75406208) has the molecular formula C5H3ClF8O and a molecular weight of 266.51 g/mol. Its IUPAC name is 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol.

Molecular Properties

Compound Name5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol
PubChem CID75406208
Molecular FormulaC5H3ClF8O
Molecular Weight266.51 g/mol
Exact Mass265.97
IUPAC Name5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C5H3ClF8O/c6-5(13,14)4(11,12)3(9,10)2(7,8)1-15/h15H,1H2
InChIKeyKGWZMKSODUPSGD-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorononan-1-ol
CID 162621203
2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)octan-1-ol
CID 139794551
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
CID 91174488
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
2,2,3,3,4,4-hexafluorohexane-1,6-diol
CID 176905212
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
2,2,3,3,4,4,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoro-5-(fluoromethyl)undecan-1-ol
CID 162548788
2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol;bis(prop-2-enoate)
CID 53400248
2,2,3,3,4,4,5,5,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octane-1,6-diol
CID 12933465
2,2,3,3,4,4,5,5,6,6-decafluoro-6-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)ethoxy]hexan-1-ol
CID 54468451
bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc
CID 22386022
4-chloro-2,2,3,3,4,4-hexafluorobutanoyl fluoride
CID 15564861

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
The IUPAC name of 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol (CID 75406208) is 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol.
What is the SMILES notation for 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
The canonical SMILES for 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol is OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
The InChIKey is KGWZMKSODUPSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF8O/c6-5(13,14)4(11,12)3(9,10)2(7,8)1-15/h15H,1H2.
What are the key properties of 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol?
5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol has a molecular weight of 266.51 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,3,3,4,4,5,5-octafluoropentan-1-ol is sourced from PubChem (CID 75406208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).