(3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol

C8H11F3O — CID 15896422

IUPAC(3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol
SMILESC=C[C@@H](O)C(F)(F)C(F)=C(C)C
InChIInChI=1S/C8H11F3O/c1-4-6(12)8(10,11)7(9)5(2)3/h4,6,12H,1H2,2-3H3/t6-/m1/s1
InChIKeyWVEBTIVCNHLAHX-ZCFIWIBFSA-N
MW180.17 g/mol
LogP2.43
Rot. Bonds3

About (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol

(3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol (PubChem CID 15896422) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol
PubChem CID15896422
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol
SMILESC=C[C@@H](O)C(F)(F)C(F)=C(C)C
InChIInChI=1S/C8H11F3O/c1-4-6(12)8(10,11)7(9)5(2)3/h4,6,12H,1H2,2-3H3/t6-/m1/s1
InChIKeyWVEBTIVCNHLAHX-ZCFIWIBFSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.43
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 (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol?
The IUPAC name of (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol (CID 15896422) is (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol.
What is the SMILES notation for (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol?
The canonical SMILES for (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol is C=C[C@@H](O)C(F)(F)C(F)=C(C)C.
What is the InChIKey of (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol?
The InChIKey is WVEBTIVCNHLAHX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11F3O/c1-4-6(12)8(10,11)7(9)5(2)3/h4,6,12H,1H2,2-3H3/t6-/m1/s1.
What are the key properties of (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol?
(3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol has a molecular weight of 180.17 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,5-trifluoro-6-methylhepta-1,5-dien-3-ol is sourced from PubChem (CID 15896422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).