1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene

C15H17F3 — CID 138653575

IUPAC1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene
SMILESC=C(C)C1C(c2cc(F)cc(C(F)F)c2)C1(C)C
InChIInChI=1S/C15H17F3/c1-8(2)12-13(15(12,3)4)9-5-10(14(17)18)7-11(16)6-9/h5-7,12-14H,1H2,2-4H3
InChIKeyXKJVRIZYJHIPPS-UHFFFAOYSA-N
MW254.29 g/mol
LogP5.08
Rot. Bonds3

About 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene

1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene (PubChem CID 138653575) has the molecular formula C15H17F3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene
PubChem CID138653575
Molecular FormulaC15H17F3
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene
SMILESC=C(C)C1C(c2cc(F)cc(C(F)F)c2)C1(C)C
InChIInChI=1S/C15H17F3/c1-8(2)12-13(15(12,3)4)9-5-10(14(17)18)7-11(16)6-9/h5-7,12-14H,1H2,2-4H3
InChIKeyXKJVRIZYJHIPPS-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.29
LogP ≤ 55.08
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 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene?
The IUPAC name of 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene (CID 138653575) is 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene.
What is the SMILES notation for 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene?
The canonical SMILES for 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene is C=C(C)C1C(c2cc(F)cc(C(F)F)c2)C1(C)C.
What is the InChIKey of 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene?
The InChIKey is XKJVRIZYJHIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3/c1-8(2)12-13(15(12,3)4)9-5-10(14(17)18)7-11(16)6-9/h5-7,12-14H,1H2,2-4H3.
What are the key properties of 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene?
1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene has a molecular weight of 254.29 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-(2,2-dimethyl-3-prop-1-en-2-ylcyclopropyl)-5-fluorobenzene is sourced from PubChem (CID 138653575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).