4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene

C21H23BrF2 — CID 174344737

IUPAC4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene
SMILESCC(C)c1ccc(C2CC2CC(C)c2ccc(Br)cc2F)cc1F
InChIInChI=1S/C21H23BrF2/c1-12(2)17-6-4-14(10-20(17)23)19-9-15(19)8-13(3)18-7-5-16(22)11-21(18)24/h4-7,10-13,15,19H,8-9H2,1-3H3
InChIKeyCVSPFTNNCXCOFE-UHFFFAOYSA-N
MW393.32 g/mol
LogP7.15
Rot. Bonds5

About 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene

4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene (PubChem CID 174344737) has the molecular formula C21H23BrF2 and a molecular weight of 393.32 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene
PubChem CID174344737
Molecular FormulaC21H23BrF2
Molecular Weight393.32 g/mol
Exact Mass392.10
IUPAC Name4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene
SMILESCC(C)c1ccc(C2CC2CC(C)c2ccc(Br)cc2F)cc1F
InChIInChI=1S/C21H23BrF2/c1-12(2)17-6-4-14(10-20(17)23)19-9-15(19)8-13(3)18-7-5-16(22)11-21(18)24/h4-7,10-13,15,19H,8-9H2,1-3H3
InChIKeyCVSPFTNNCXCOFE-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.32
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
4-bromo-1-(1-chloropropan-2-yl)-2-fluorobenzene
CID 82973231
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048
4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene
CID 81358874
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
CID 81350329
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
(3-fluoro-4-propan-2-ylphenyl)-trimethylsilane
CID 59596566
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850002
1-[1-(4-bromo-2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 82973600
1-(4-bromo-2-fluorophenyl)-2-(oxan-4-yl)ethanamine
CID 114905994

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene (CID 174344737) is 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene is CC(C)c1ccc(C2CC2CC(C)c2ccc(Br)cc2F)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene?
The InChIKey is CVSPFTNNCXCOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrF2/c1-12(2)17-6-4-14(10-20(17)23)19-9-15(19)8-13(3)18-7-5-16(22)11-21(18)24/h4-7,10-13,15,19H,8-9H2,1-3H3.
What are the key properties of 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene?
4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene has a molecular weight of 393.32 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-1-[1-[2-(3-fluoro-4-propan-2-ylphenyl)cyclopropyl]propan-2-yl]benzene is sourced from PubChem (CID 174344737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).