1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol

C8H10F6O — CID 103312529

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol
SMILESC=CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O/c1-2-3-4-5(15)6(7(9,10)11)8(12,13)14/h2,5-6,15H,1,3-4H2
InChIKeyBLHCDBGGBVAZFC-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.05
Rot. Bonds4

About 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol

1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol (PubChem CID 103312529) has the molecular formula C8H10F6O and a molecular weight of 236.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol
PubChem CID103312529
Molecular FormulaC8H10F6O
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol
SMILESC=CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O/c1-2-3-4-5(15)6(7(9,10)11)8(12,13)14/h2,5-6,15H,1,3-4H2
InChIKeyBLHCDBGGBVAZFC-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-Tetrafluoro-2,2-dimethylhept-6-en-3-ol
CID 101778191
(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol
CID 22939024
1,1,1-Trifluoro-3-(2,3,3-trifluoroprop-2-enyl)hept-6-en-2-ol
CID 57588703
4-Ethenyl-1,1,1,6,7,7-hexafluorohept-6-en-2-ol
CID 57588710
1,1,1-Trifluoro-4-(2,3,3-trifluoroprop-2-enyl)oct-7-en-2-ol
CID 57588714
3-Ethenyl-1,1,1,5,6,6-hexafluorohex-5-en-2-ol
CID 57588726
1,2,2-Trifluorooct-7-en-4-ol
CID 59892545
4,5,5-Trifluoro-2-(prop-2-EN-1-YL)pent-4-EN-1-OL
CID 71416305
1,1,1-Trifluoro-3-methyloct-6-en-2-ol
CID 74011063
2-Ethenyl-6,6,6-trifluorohexan-1-ol
CID 89142084
Molecular fluorine;1,2,2-trifluorooct-7-en-4-ol
CID 91444562
1-(3,3-Difluorocyclobutyl)but-3-en-1-ol
CID 130360426

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol (CID 103312529) is 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol is C=CCCC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol?
The InChIKey is BLHCDBGGBVAZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-2-3-4-5(15)6(7(9,10)11)8(12,13)14/h2,5-6,15H,1,3-4H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol?
1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol has a molecular weight of 236.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-ol is sourced from PubChem (CID 103312529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).