4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene

C22H27F — CID 144916573

IUPAC4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(CCC2CC2)c2cccc(C(C)C)c2)ccc1F
InChIInChI=1S/C22H27F/c1-15(2)18-5-4-6-19(14-18)21(11-9-17-7-8-17)20-10-12-22(23)16(3)13-20/h4-6,10,12-15,17,21H,7-9,11H2,1-3H3
InChIKeyHHKTUGYORSDUHH-UHFFFAOYSA-N
MW310.46 g/mol
LogP6.58
Rot. Bonds6

About 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene

4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene (PubChem CID 144916573) has the molecular formula C22H27F and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene
PubChem CID144916573
Molecular FormulaC22H27F
Molecular Weight310.46 g/mol
Exact Mass310.21
IUPAC Name4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(CCC2CC2)c2cccc(C(C)C)c2)ccc1F
InChIInChI=1S/C22H27F/c1-15(2)18-5-4-6-19(14-18)21(11-9-17-7-8-17)20-10-12-22(23)16(3)13-20/h4-6,10,12-15,17,21H,7-9,11H2,1-3H3
InChIKeyHHKTUGYORSDUHH-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene
CID 123624962
[(4-fluoro-3-methylphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232186
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
4-(1-chloro-2-phenylpropyl)-1-fluoro-2-methylbenzene
CID 114028911
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79746903
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
2-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanamine
CID 55269434
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene (CID 144916573) is 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene is Cc1cc(C(CCC2CC2)c2cccc(C(C)C)c2)ccc1F.
What is the InChIKey of 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene?
The InChIKey is HHKTUGYORSDUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F/c1-15(2)18-5-4-6-19(14-18)21(11-9-17-7-8-17)20-10-12-22(23)16(3)13-20/h4-6,10,12-15,17,21H,7-9,11H2,1-3H3.
What are the key properties of 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene?
4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene has a molecular weight of 310.46 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 144916573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).