1,1,1-trifluorodec-9-en-2-ol

C10H17F3O — CID 54440286

IUPAC1,1,1-trifluorodec-9-en-2-ol
SMILESC=CCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h2,9,14H,1,3-8H2
InChIKeyKEHPJELFRWHRMB-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.44
Rot. Bonds7

About 1,1,1-trifluorodec-9-en-2-ol

1,1,1-trifluorodec-9-en-2-ol (PubChem CID 54440286) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,1,1-trifluorodec-9-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluorodec-9-en-2-ol
PubChem CID54440286
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1,1,1-trifluorodec-9-en-2-ol
SMILESC=CCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h2,9,14H,1,3-8H2
InChIKeyKEHPJELFRWHRMB-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.44
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-trifluorodec-9-en-2-ol?
The IUPAC name of 1,1,1-trifluorodec-9-en-2-ol (CID 54440286) is 1,1,1-trifluorodec-9-en-2-ol.
What is the SMILES notation for 1,1,1-trifluorodec-9-en-2-ol?
The canonical SMILES for 1,1,1-trifluorodec-9-en-2-ol is C=CCCCCCCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorodec-9-en-2-ol?
The InChIKey is KEHPJELFRWHRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h2,9,14H,1,3-8H2.
What are the key properties of 1,1,1-trifluorodec-9-en-2-ol?
1,1,1-trifluorodec-9-en-2-ol has a molecular weight of 210.24 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorodec-9-en-2-ol is sourced from PubChem (CID 54440286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).