(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol

C10H15F3O — CID 89135602

IUPAC(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol
SMILESCC/C=C\C(=C/CC)C(O)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-3-5-7-8(6-4-2)9(14)10(11,12)13/h5-7,9,14H,3-4H2,1-2H3/b7-5-,8-6+
InChIKeyNOSZTBHQOYFLIX-CGXWXWIYSA-N
MW208.22 g/mol
LogP3.21
Rot. Bonds4

About (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol

(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol (PubChem CID 89135602) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol.

Molecular Properties

Compound Name(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol
PubChem CID89135602
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol
SMILESCC/C=C\C(=C/CC)C(O)C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-3-5-7-8(6-4-2)9(14)10(11,12)13/h5-7,9,14H,3-4H2,1-2H3/b7-5-,8-6+
InChIKeyNOSZTBHQOYFLIX-CGXWXWIYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol?
The IUPAC name of (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol (CID 89135602) is (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol.
What is the SMILES notation for (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol?
The canonical SMILES for (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol is CC/C=C\C(=C/CC)C(O)C(F)(F)F.
What is the InChIKey of (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol?
The InChIKey is NOSZTBHQOYFLIX-CGXWXWIYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-3-5-7-8(6-4-2)9(14)10(11,12)13/h5-7,9,14H,3-4H2,1-2H3/b7-5-,8-6+.
What are the key properties of (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol?
(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol has a molecular weight of 208.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol is sourced from PubChem (CID 89135602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).