1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol

C10H17F3O2 — CID 103147617

IUPAC1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
SMILESC=CCCCC(O)CCOCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h2,9,14H,1,3-8H2
InChIKeyGEYUPQJCCHKWOI-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.67
Rot. Bonds8

About 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol

1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol (PubChem CID 103147617) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
PubChem CID103147617
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
SMILESC=CCCCC(O)CCOCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h2,9,14H,1,3-8H2
InChIKeyGEYUPQJCCHKWOI-UHFFFAOYSA-N
XLogP2.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.67
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

1-propoxyoct-7-en-3-ol
CID 105102038
1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
CID 107009817
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
4-but-3-enoxybutane-1,2-diol
CID 171403139
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
1-methoxydec-9-ene-3,6-diol
CID 91577196
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
nona-1,8-dien-4-ol
CID 14385456
4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 103147476
1-(2,2,2-trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
1-fluorohex-5-en-1-ol
CID 165382533

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol (CID 103147617) is 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol is C=CCCCC(O)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol?
The InChIKey is GEYUPQJCCHKWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h2,9,14H,1,3-8H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol?
1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol has a molecular weight of 226.24 g/mol, XLogP of 2.67, 8 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)oct-7-en-3-ol is sourced from PubChem (CID 103147617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).