1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol

C14H24F4O3 — CID 167572896

IUPAC1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol
SMILESC=CCCC(O)C(F)(F)OCCCF.C=CCCC(O)F
InChIInChI=1S/C9H15F3O2.C5H9FO/c1-2-3-5-8(13)9(11,12)14-7-4-6-10;1-2-3-4-5(6)7/h2,8,13H,1,3-7H2;2,5,7H,1,3-4H2
InChIKeyGDLVPZLAYUATFN-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.52
Rot. Bonds11

About 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol

1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol (PubChem CID 167572896) has the molecular formula C14H24F4O3 and a molecular weight of 316.34 g/mol. Its IUPAC name is 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol
PubChem CID167572896
Molecular FormulaC14H24F4O3
Molecular Weight316.34 g/mol
Exact Mass316.17
IUPAC Name1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol
SMILESC=CCCC(O)C(F)(F)OCCCF.C=CCCC(O)F
InChIInChI=1S/C9H15F3O2.C5H9FO/c1-2-3-5-8(13)9(11,12)14-7-4-6-10;1-2-3-4-5(6)7/h2,8,13H,1,3-7H2;2,5,7H,1,3-4H2
InChIKeyGDLVPZLAYUATFN-UHFFFAOYSA-N
XLogP3.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hex-5-en-2-ol
CID 11752898
1-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hex-5-en-2-ol
CID 21195195
1-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]dec-9-en-2-ol
CID 21195201
1-[2,2,3,3-Tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol
CID 21195202
1-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]oct-7-en-2-ol
CID 21195206
1-[2,2,3,3-Tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol
CID 21195216
1-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]dec-9-en-2-ol
CID 21195219
(2S)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hex-5-en-2-ol
CID 53683422
(2R)-1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]oct-7-en-2-ol
CID 53891128
1-(6-Ethyl-5-methyl-1,4-dioxan-2-yl)-2,2-difluorobut-3-en-1-ol
CID 54169745
(2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]oct-7-en-2-ol
CID 54442035
(2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]dec-9-en-2-ol
CID 54531823

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol?
The IUPAC name of 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol (CID 167572896) is 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol.
What is the SMILES notation for 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol?
The canonical SMILES for 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol is C=CCCC(O)C(F)(F)OCCCF.C=CCCC(O)F.
What is the InChIKey of 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol?
The InChIKey is GDLVPZLAYUATFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2.C5H9FO/c1-2-3-5-8(13)9(11,12)14-7-4-6-10;1-2-3-4-5(6)7/h2,8,13H,1,3-7H2;2,5,7H,1,3-4H2.
What are the key properties of 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol?
1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol has a molecular weight of 316.34 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol is sourced from PubChem (CID 167572896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).