3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene

C10H11F7 — CID 23042181

IUPAC3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene
SMILESC=C(C(F)(F)F)C(F)(C(=C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H11F7/c1-5(2)8(11,6(3)9(12,13)14)7(4)10(15,16)17/h5H,3-4H2,1-2H3
InChIKeyPVUZOBGYVPGNNH-UHFFFAOYSA-N
MW264.18 g/mol
LogP4.59
Rot. Bonds3

About 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene

3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene (PubChem CID 23042181) has the molecular formula C10H11F7 and a molecular weight of 264.18 g/mol. Its IUPAC name is 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene.

Molecular Properties

Compound Name3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene
PubChem CID23042181
Molecular FormulaC10H11F7
Molecular Weight264.18 g/mol
Exact Mass264.07
IUPAC Name3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene
SMILESC=C(C(F)(F)F)C(F)(C(=C)C(F)(F)F)C(C)C
InChIInChI=1S/C10H11F7/c1-5(2)8(11,6(3)9(12,13)14)7(4)10(15,16)17/h5H,3-4H2,1-2H3
InChIKeyPVUZOBGYVPGNNH-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene?
The IUPAC name of 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene (CID 23042181) is 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene.
What is the SMILES notation for 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene?
The canonical SMILES for 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene is C=C(C(F)(F)F)C(F)(C(=C)C(F)(F)F)C(C)C.
What is the InChIKey of 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene?
The InChIKey is PVUZOBGYVPGNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7/c1-5(2)8(11,6(3)9(12,13)14)7(4)10(15,16)17/h5H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene?
3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene has a molecular weight of 264.18 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-propan-2-yl-2,4-bis(trifluoromethyl)penta-1,4-diene is sourced from PubChem (CID 23042181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).