2,4-bis(fluoromethyl)penta-1,4-dien-3-ol

C7H10F2O — CID 102521378

IUPAC2,4-bis(fluoromethyl)penta-1,4-dien-3-ol
SMILESC=C(CF)C(O)C(=C)CF
InChIInChI=1S/C7H10F2O/c1-5(3-8)7(10)6(2)4-9/h7,10H,1-4H2
InChIKeyDTDSVDIEIAJUEA-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.40
Rot. Bonds4

About 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol

2,4-bis(fluoromethyl)penta-1,4-dien-3-ol (PubChem CID 102521378) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol.

Molecular Properties

Compound Name2,4-bis(fluoromethyl)penta-1,4-dien-3-ol
PubChem CID102521378
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name2,4-bis(fluoromethyl)penta-1,4-dien-3-ol
SMILESC=C(CF)C(O)C(=C)CF
InChIInChI=1S/C7H10F2O/c1-5(3-8)7(10)6(2)4-9/h7,10H,1-4H2
InChIKeyDTDSVDIEIAJUEA-UHFFFAOYSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.40
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 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol?
The IUPAC name of 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol (CID 102521378) is 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol.
What is the SMILES notation for 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol?
The canonical SMILES for 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol is C=C(CF)C(O)C(=C)CF.
What is the InChIKey of 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol?
The InChIKey is DTDSVDIEIAJUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5(3-8)7(10)6(2)4-9/h7,10H,1-4H2.
What are the key properties of 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol?
2,4-bis(fluoromethyl)penta-1,4-dien-3-ol has a molecular weight of 148.15 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(fluoromethyl)penta-1,4-dien-3-ol is sourced from PubChem (CID 102521378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).