1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol

C10H10F12O3 — CID 142737837

IUPAC1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F12O3/c11-6(12,8(15,16)10(20,21)22)3-24-1-5(23)2-25-4-7(13,14)9(17,18)19/h5,23H,1-4H2
InChIKeyRTRGCZMCNVBHNP-UHFFFAOYSA-N
MW406.16 g/mol
LogP3.41
Rot. Bonds9

About 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol

1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol (PubChem CID 142737837) has the molecular formula C10H10F12O3 and a molecular weight of 406.16 g/mol. Its IUPAC name is 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
PubChem CID142737837
Molecular FormulaC10H10F12O3
Molecular Weight406.16 g/mol
Exact Mass406.04
IUPAC Name1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F12O3/c11-6(12,8(15,16)10(20,21)22)3-24-1-5(23)2-25-4-7(13,14)9(17,18)19/h5,23H,1-4H2
InChIKeyRTRGCZMCNVBHNP-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
CID 98454538
(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
1-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 142737839
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propan-2-ol
CID 142549364
1,3-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)propan-2-ol
CID 172565018
1-butoxy-3-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)propan-2-ol
CID 142737821
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4,4-dimethyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)decan-2-ol
CID 172565177
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propan-2-ol
CID 14693074
3-(2,2-difluoroethoxy)-1,1,1,2,2-pentafluoropropane
CID 174988220
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
CID 14909231
1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol
CID 169009122
4,4,5,5,6,6,7,7,7-nonafluoro-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 175898176

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol (CID 142737837) is 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol is OC(COCC(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The InChIKey is RTRGCZMCNVBHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O3/c11-6(12,8(15,16)10(20,21)22)3-24-1-5(23)2-25-4-7(13,14)9(17,18)19/h5,23H,1-4H2.
What are the key properties of 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol has a molecular weight of 406.16 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol is sourced from PubChem (CID 142737837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).