(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol

C12H18F6O — CID 88575381

IUPAC(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol
SMILESCCC/C=C\CCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-2-3-4-5-6-7-8-9-10(19,11(13,14)15)12(16,17)18/h4-5,19H,2-3,6-9H2,1H3/b5-4-
InChIKeyWQUJVHNDQOEKED-PLNGDYQASA-N
MW292.26 g/mol
LogP4.76
Rot. Bonds7

About (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol

(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol (PubChem CID 88575381) has the molecular formula C12H18F6O and a molecular weight of 292.26 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol
PubChem CID88575381
Molecular FormulaC12H18F6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol
SMILESCCC/C=C\CCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-2-3-4-5-6-7-8-9-10(19,11(13,14)15)12(16,17)18/h4-5,19H,2-3,6-9H2,1H3/b5-4-
InChIKeyWQUJVHNDQOEKED-PLNGDYQASA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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CID 6438294
2,6-Dimethyloct-6-en-2-ol
CID 121687
2-Cyclohex-2-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 13601564
(E)-1,1,1-trifluoro-2-(trifluoromethyl)dec-4-en-2-ol
CID 13897884
4,4-Difluoro-3-methyloct-1-en-3-ol
CID 54329780
1,1,1-Trifluoro-2-methyl-4-(2,3,3-trifluoroprop-2-enyl)oct-7-en-2-ol
CID 57588701
1,1,1-Trifluoro-2-(trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enyl)oct-7-en-2-ol
CID 57588717
1,1,1,3,3,3-Hexafluoro-2-[(2-methylcyclohex-3-en-1-yl)methyl]propan-2-ol;tungsten;yttrium
CID 60099191
3-Cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol
CID 67968240
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(fluoromethyl)butan-2-ol
CID 68274125
2-(Cyclohex-3-en-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87065332
(Z)-1,1,1-trifluoro-4,9-dimethyl-2-(trifluoromethyl)dec-6-en-2-ol
CID 87065546

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol?
The IUPAC name of (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol (CID 88575381) is (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol.
What is the SMILES notation for (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol?
The canonical SMILES for (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol is CCC/C=C\CCCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol?
The InChIKey is WQUJVHNDQOEKED-PLNGDYQASA-N. The full InChI is InChI=1S/C12H18F6O/c1-2-3-4-5-6-7-8-9-10(19,11(13,14)15)12(16,17)18/h4-5,19H,2-3,6-9H2,1H3/b5-4-.
What are the key properties of (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol?
(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol has a molecular weight of 292.26 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol is sourced from PubChem (CID 88575381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).