2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol

C10H17F5O3 — CID 158026669

IUPAC2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol
SMILESCCCC(O)(CO)COCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O3/c1-2-3-8(17,6-16)7-18-5-4-9(11,12)10(13,14)15/h16-17H,2-7H2,1H3
InChIKeyOUNOWICGDZHYFB-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.11
Rot. Bonds8

About 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol

2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol (PubChem CID 158026669) has the molecular formula C10H17F5O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol.

Molecular Properties

Compound Name2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol
PubChem CID158026669
Molecular FormulaC10H17F5O3
Molecular Weight280.23 g/mol
Exact Mass280.11
IUPAC Name2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol
SMILESCCCC(O)(CO)COCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O3/c1-2-3-8(17,6-16)7-18-5-4-9(11,12)10(13,14)15/h16-17H,2-7H2,1H3
InChIKeyOUNOWICGDZHYFB-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-2-(hydroxymethyl)hexoxy]methyl]hexane-1,2-diol
CID 139980798
4-ethoxy-1,1,1,2,2-pentafluorobutane;methane
CID 178006484
2-[[2-hydroxy-2-(hydroxymethyl)icosoxy]methyl]icosane-1,2-diol
CID 87690691
3-(propoxymethyl)pentan-3-ol
CID 79567363
1,1,1,2,2-pentafluoro-16-propoxyhexadecane
CID 126561771
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667
2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-ol;methane;2-(3,3,4,4,4-pentafluorobutoxy)ethanol
CID 158339898
3-butoxy-1,1-difluoropropan-1-ol
CID 164768112
2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
CID 106810644
2-propyloctane-1,2-diol
CID 88923937
2-(2-aminoethyl)pentane-1,2-diol
CID 88986362
2-[[2-hydroxy-2-(hydroxymethyl)icos-11-enoxy]methyl]icos-11-ene-1,2-diol
CID 139756180

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol?
The IUPAC name of 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol (CID 158026669) is 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol.
What is the SMILES notation for 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol?
The canonical SMILES for 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol is CCCC(O)(CO)COCCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol?
The InChIKey is OUNOWICGDZHYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O3/c1-2-3-8(17,6-16)7-18-5-4-9(11,12)10(13,14)15/h16-17H,2-7H2,1H3.
What are the key properties of 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol?
2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol has a molecular weight of 280.23 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol is sourced from PubChem (CID 158026669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).