3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol

C10H18F4O4 — CID 166745188

IUPAC3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol
SMILESOC(C(F)C(F)C(F)CCCCCF)C(O)(O)O
InChIInChI=1S/C10H18F4O4/c11-5-3-1-2-4-6(12)7(13)8(14)9(15)10(16,17)18/h6-9,15-18H,1-5H2
InChIKeyRHCPCEXKEOQSCO-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.52
Rot. Bonds9

About 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol

3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol (PubChem CID 166745188) has the molecular formula C10H18F4O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol.

Molecular Properties

Compound Name3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol
PubChem CID166745188
Molecular FormulaC10H18F4O4
Molecular Weight278.24 g/mol
Exact Mass278.11
IUPAC Name3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol
SMILESOC(C(F)C(F)C(F)CCCCCF)C(O)(O)O
InChIInChI=1S/C10H18F4O4/c11-5-3-1-2-4-6(12)7(13)8(14)9(15)10(16,17)18/h6-9,15-18H,1-5H2
InChIKeyRHCPCEXKEOQSCO-UHFFFAOYSA-N
XLogP0.52
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,9-pentafluorononan-1-ol
CID 166745168
1,2,3,4,5,10-hexafluorodecan-1-ol
CID 166745270
2,3,6-trifluorohexane-1,1,1-triol
CID 166745250
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
1,2,3,4,5,6,7,8,16-nonafluorohexadecan-1-ol;prop-2-enoic acid
CID 175292970
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
sodium;hydride;2,3,4,9-tetrafluorononane-1-sulfonic acid
CID 175360951
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
(2R)-8-fluorooctan-2-ol
CID 54347912
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264
barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
CID 173311743

Frequently Asked Questions

What is the IUPAC name of 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol?
The IUPAC name of 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol (CID 166745188) is 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol.
What is the SMILES notation for 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol?
The canonical SMILES for 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol is OC(C(F)C(F)C(F)CCCCCF)C(O)(O)O.
What is the InChIKey of 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol?
The InChIKey is RHCPCEXKEOQSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O4/c11-5-3-1-2-4-6(12)7(13)8(14)9(15)10(16,17)18/h6-9,15-18H,1-5H2.
What are the key properties of 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol?
3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol has a molecular weight of 278.24 g/mol, XLogP of 0.52, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,10-tetrafluorodecane-1,1,1,2-tetrol is sourced from PubChem (CID 166745188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).