1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol

C9H11F5O3 — CID 21018008

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol
SMILESOC(C1CCC=CO1)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C9H11F5O3/c10-8(11,7(16)9(12,13)14)6(15)5-3-1-2-4-17-5/h2,4-7,15-16H,1,3H2
InChIKeyJJDRCIZDVVRXDM-UHFFFAOYSA-N
MW262.17 g/mol
LogP1.60
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol

1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol (PubChem CID 21018008) has the molecular formula C9H11F5O3 and a molecular weight of 262.17 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol
PubChem CID21018008
Molecular FormulaC9H11F5O3
Molecular Weight262.17 g/mol
Exact Mass262.06
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol
SMILESOC(C1CCC=CO1)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C9H11F5O3/c10-8(11,7(16)9(12,13)14)6(15)5-3-1-2-4-17-5/h2,4-7,15-16H,1,3H2
InChIKeyJJDRCIZDVVRXDM-UHFFFAOYSA-N
XLogP1.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,2,3,3-Tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol
CID 21195202
1-[2,2,3,3-Tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol
CID 21195216
(2R)-1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol
CID 53891128
(2R)-1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol
CID 54556016
1-(2,2,2-Trifluoroethoxy)non-8-en-2-ol
CID 107008764
1-(2,2,3,3-Tetrafluoropropoxy)non-8-en-2-ol
CID 113904493

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol (CID 21018008) is 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol is OC(C1CCC=CO1)C(F)(F)C(O)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol?
The InChIKey is JJDRCIZDVVRXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O3/c10-8(11,7(16)9(12,13)14)6(15)5-3-1-2-4-17-5/h2,4-7,15-16H,1,3H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol?
1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol has a molecular weight of 262.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol is sourced from PubChem (CID 21018008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).