1,1,1-trifluorohept-6-en-2-ol

C7H11F3O — CID 54107602

IUPAC1,1,1-trifluorohept-6-en-2-ol
SMILESC=CCCCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-4-5-6(11)7(8,9)10/h2,6,11H,1,3-5H2
InChIKeyXRJQTZTXSBLNLI-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.27
Rot. Bonds4

About 1,1,1-trifluorohept-6-en-2-ol

1,1,1-trifluorohept-6-en-2-ol (PubChem CID 54107602) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 1,1,1-trifluorohept-6-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluorohept-6-en-2-ol
PubChem CID54107602
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name1,1,1-trifluorohept-6-en-2-ol
SMILESC=CCCCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-4-5-6(11)7(8,9)10/h2,6,11H,1,3-5H2
InChIKeyXRJQTZTXSBLNLI-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorohept-6-en-2-ol?
The IUPAC name of 1,1,1-trifluorohept-6-en-2-ol (CID 54107602) is 1,1,1-trifluorohept-6-en-2-ol.
What is the SMILES notation for 1,1,1-trifluorohept-6-en-2-ol?
The canonical SMILES for 1,1,1-trifluorohept-6-en-2-ol is C=CCCCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorohept-6-en-2-ol?
The InChIKey is XRJQTZTXSBLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-2-3-4-5-6(11)7(8,9)10/h2,6,11H,1,3-5H2.
What are the key properties of 1,1,1-trifluorohept-6-en-2-ol?
1,1,1-trifluorohept-6-en-2-ol has a molecular weight of 168.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohept-6-en-2-ol is sourced from PubChem (CID 54107602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).