1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol

C11H13F7O — CID 20760669

IUPAC1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=CCC(CC(=C)F)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F7O/c1-3-4-8(5-7(2)12)6-9(19,10(13,14)15)11(16,17)18/h3,8,19H,1-2,4-6H2
InChIKeyRPWHASWDXHXQMA-UHFFFAOYSA-N
MW294.21 g/mol
LogP4.30
Rot. Bonds6

About 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol

1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol (PubChem CID 20760669) has the molecular formula C11H13F7O and a molecular weight of 294.21 g/mol. Its IUPAC name is 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol.

Molecular Properties

Compound Name1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol
PubChem CID20760669
Molecular FormulaC11H13F7O
Molecular Weight294.21 g/mol
Exact Mass294.09
IUPAC Name1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol
SMILESC=CCC(CC(=C)F)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F7O/c1-3-4-8(5-7(2)12)6-9(19,10(13,14)15)11(16,17)18/h3,8,19H,1-2,4-6H2
InChIKeyRPWHASWDXHXQMA-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 54.30
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

1,1,4-trifluoro-2-prop-2-enylpent-4-en-1-ol
CID 58693356
4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 89360060
1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 22186473
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene
CID 58901154
(4S)-4-(bromomethyl)-6,6,6-trifluorohex-1-ene
CID 129359665
2-fluoro-5-propylocta-1,7-diene
CID 167182479
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
1,1,1,2,2-pentafluoro-3-(trifluoromethyl)hex-5-en-3-ol
CID 20743967
2-prop-2-enylpent-4-en-1-ol
CID 14895210
4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
CID 88765155
1,1,1-trifluoro-2-(fluoromethyl)but-3-en-2-ol
CID 87791383
4-chloro-2-prop-2-enylpent-4-en-1-ol
CID 126971964

Frequently Asked Questions

What is the IUPAC name of 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol?
The IUPAC name of 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol (CID 20760669) is 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol.
What is the SMILES notation for 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol?
The canonical SMILES for 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol is C=CCC(CC(=C)F)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol?
The InChIKey is RPWHASWDXHXQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F7O/c1-3-4-8(5-7(2)12)6-9(19,10(13,14)15)11(16,17)18/h3,8,19H,1-2,4-6H2.
What are the key properties of 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol?
1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol has a molecular weight of 294.21 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6-tetrafluoro-4-prop-2-enyl-2-(trifluoromethyl)hept-6-en-2-ol is sourced from PubChem (CID 20760669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).