1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol

C9H14F4O2 — CID 103473916

IUPAC1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol
SMILESC=CCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O2/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h2,7-8,14H,1,3-6H2
InChIKeyCJFYKFBDMYVRFO-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.23
Rot. Bonds8

About 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol

1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol (PubChem CID 103473916) has the molecular formula C9H14F4O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol
PubChem CID103473916
Molecular FormulaC9H14F4O2
Molecular Weight230.20 g/mol
Exact Mass230.09
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol
SMILESC=CCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H14F4O2/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h2,7-8,14H,1,3-6H2
InChIKeyCJFYKFBDMYVRFO-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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-[2,2,3,3-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
(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
(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-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol
CID 54556016
4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentane-1,2-diol;4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-1-ene
CID 162201778
1,1,1,2-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol
CID 165164937
1,1-Difluoro-1-(3-fluoropropoxy)hex-5-en-2-ol;1-fluoropent-4-en-1-ol
CID 167572896

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol (CID 103473916) is 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol is C=CCCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
The InChIKey is CJFYKFBDMYVRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O2/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h2,7-8,14H,1,3-6H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol?
1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol has a molecular weight of 230.20 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-ol is sourced from PubChem (CID 103473916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).