bis[1-(4-fluorophenyl)cyclopropyl]methanone

C19H16F2O — CID 68859453

IUPACbis[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1(c2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16F2O/c20-15-5-1-13(2-6-15)18(9-10-18)17(22)19(11-12-19)14-3-7-16(21)8-4-14/h1-8H,9-12H2
InChIKeyUVXUMASNAZSYPQ-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.30
Rot. Bonds4

About bis[1-(4-fluorophenyl)cyclopropyl]methanone

bis[1-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 68859453) has the molecular formula C19H16F2O and a molecular weight of 298.33 g/mol. Its IUPAC name is bis[1-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Namebis[1-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID68859453
Molecular FormulaC19H16F2O
Molecular Weight298.33 g/mol
Exact Mass298.12
IUPAC Namebis[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1(c2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16F2O/c20-15-5-1-13(2-6-15)18(9-10-18)17(22)19(11-12-19)14-3-7-16(21)8-4-14/h1-8H,9-12H2
InChIKeyUVXUMASNAZSYPQ-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis[1-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of bis[1-(4-fluorophenyl)cyclopropyl]methanone (CID 68859453) is bis[1-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for bis[1-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for bis[1-(4-fluorophenyl)cyclopropyl]methanone is O=C(C1(c2ccc(F)cc2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of bis[1-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is UVXUMASNAZSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O/c20-15-5-1-13(2-6-15)18(9-10-18)17(22)19(11-12-19)14-3-7-16(21)8-4-14/h1-8H,9-12H2.
What are the key properties of bis[1-(4-fluorophenyl)cyclopropyl]methanone?
bis[1-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 298.33 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 68859453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).