5,5,5-trifluoro-2-methylidenepentan-1-ol

C6H9F3O — CID 177017528

IUPAC5,5,5-trifluoro-2-methylidenepentan-1-ol
SMILESC=C(CO)CCC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(4-10)2-3-6(7,8)9/h10H,1-4H2
InChIKeyUALJYRPHRRIJJN-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.88
Rot. Bonds3

About 5,5,5-trifluoro-2-methylidenepentan-1-ol

5,5,5-trifluoro-2-methylidenepentan-1-ol (PubChem CID 177017528) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methylidenepentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methylidenepentan-1-ol
PubChem CID177017528
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name5,5,5-trifluoro-2-methylidenepentan-1-ol
SMILESC=C(CO)CCC(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(4-10)2-3-6(7,8)9/h10H,1-4H2
InChIKeyUALJYRPHRRIJJN-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.88
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 5,5,5-trifluoro-2-methylidenepentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-2-methylidenepentan-1-ol (CID 177017528) is 5,5,5-trifluoro-2-methylidenepentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-2-methylidenepentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-2-methylidenepentan-1-ol is C=C(CO)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-methylidenepentan-1-ol?
The InChIKey is UALJYRPHRRIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(4-10)2-3-6(7,8)9/h10H,1-4H2.
What are the key properties of 5,5,5-trifluoro-2-methylidenepentan-1-ol?
5,5,5-trifluoro-2-methylidenepentan-1-ol has a molecular weight of 154.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methylidenepentan-1-ol is sourced from PubChem (CID 177017528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).