1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol

C9H15F3O2 — CID 103216848

IUPAC1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol
SMILESC=CCCCC(O)COCC(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-2-3-4-5-8(13)6-14-7-9(10,11)12/h2,8,13H,1,3-7H2
InChIKeySUOMMFIFTHHNHK-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.28
Rot. Bonds7

About 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol

1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol (PubChem CID 103216848) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol
PubChem CID103216848
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol
SMILESC=CCCCC(O)COCC(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-2-3-4-5-8(13)6-14-7-9(10,11)12/h2,8,13H,1,3-7H2
InChIKeySUOMMFIFTHHNHK-UHFFFAOYSA-N
XLogP2.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5,5-Difluoroocta-1,7-diene-3,4-diol
CID 134856254
1-[(2S,3R)-3-but-3-enyloxiran-2-yl]-2,2,2-trifluoroethane-1,1-diol
CID 135060551
(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
(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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol (CID 103216848) is 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol is C=CCCCC(O)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol?
The InChIKey is SUOMMFIFTHHNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-2-3-4-5-8(13)6-14-7-9(10,11)12/h2,8,13H,1,3-7H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol?
1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol has a molecular weight of 212.21 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ol is sourced from PubChem (CID 103216848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).