1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one

C21H23FO — CID 157389572

IUPAC1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)CCC1CC1
InChIInChI=1S/C21H23FO/c22-21-7-2-1-6-20(21)18-13-10-16(11-14-18)4-3-5-19(23)15-12-17-8-9-17/h1-2,6-7,10-11,13-14,17H,3-5,8-9,12,15H2
InChIKeyBLVLIYFYUBIDKT-UHFFFAOYSA-N
MW310.41 g/mol
LogP5.57
Rot. Bonds8

About 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one

1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one (PubChem CID 157389572) has the molecular formula C21H23FO and a molecular weight of 310.41 g/mol. Its IUPAC name is 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one.

Molecular Properties

Compound Name1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one
PubChem CID157389572
Molecular FormulaC21H23FO
Molecular Weight310.41 g/mol
Exact Mass310.17
IUPAC Name1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)CCC1CC1
InChIInChI=1S/C21H23FO/c22-21-7-2-1-6-20(21)18-13-10-16(11-14-18)4-3-5-19(23)15-12-17-8-9-17/h1-2,6-7,10-11,13-14,17H,3-5,8-9,12,15H2
InChIKeyBLVLIYFYUBIDKT-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.41
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
CID 161222823
5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one
CID 157494437
4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
CID 138674464
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
4-[4-(2-fluorophenyl)phenyl]-N-(furan-2-yl)butanamide
CID 139380465
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
3-[4-(2-fluorophenyl)phenyl]propanal
CID 57240259
2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
CID 145126379
1,4-bis(2-fluorophenyl)benzene
CID 58121760
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 138674443

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one?
The IUPAC name of 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one (CID 157389572) is 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one.
What is the SMILES notation for 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one?
The canonical SMILES for 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one is O=C(CCCc1ccc(-c2ccccc2F)cc1)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one?
The InChIKey is BLVLIYFYUBIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FO/c22-21-7-2-1-6-20(21)18-13-10-16(11-14-18)4-3-5-19(23)15-12-17-8-9-17/h1-2,6-7,10-11,13-14,17H,3-5,8-9,12,15H2.
What are the key properties of 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one?
1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one has a molecular weight of 310.41 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one is sourced from PubChem (CID 157389572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).