(Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol

C11H19F3O — CID 10585231

IUPAC(Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol
SMILESCC(C)/C=C\[C@@H]([C@H](O)C(C)C)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-7(2)5-6-9(11(12,13)14)10(15)8(3)4/h5-10,15H,1-4H3/b6-5-/t9-,10+/m0/s1
InChIKeyFSTILAVUGRLXBD-NRAIBSHISA-N
MW224.27 g/mol
LogP3.39
Rot. Bonds4

About (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol

(Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol (PubChem CID 10585231) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol.

Molecular Properties

Compound Name(Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol
PubChem CID10585231
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol
SMILESCC(C)/C=C\[C@@H]([C@H](O)C(C)C)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-7(2)5-6-9(11(12,13)14)10(15)8(3)4/h5-10,15H,1-4H3/b6-5-/t9-,10+/m0/s1
InChIKeyFSTILAVUGRLXBD-NRAIBSHISA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol?
The IUPAC name of (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol (CID 10585231) is (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol.
What is the SMILES notation for (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol?
The canonical SMILES for (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol is CC(C)/C=C\[C@@H]([C@H](O)C(C)C)C(F)(F)F.
What is the InChIKey of (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol?
The InChIKey is FSTILAVUGRLXBD-NRAIBSHISA-N. The full InChI is InChI=1S/C11H19F3O/c1-7(2)5-6-9(11(12,13)14)10(15)8(3)4/h5-10,15H,1-4H3/b6-5-/t9-,10+/m0/s1.
What are the key properties of (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol?
(Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol has a molecular weight of 224.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,4S)-2,7-dimethyl-4-(trifluoromethyl)oct-5-en-3-ol is sourced from PubChem (CID 10585231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).