5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene

C22H21F3O — CID 163457680

IUPAC5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1cc(C2CC2)ccc1COc1cc(C2=CCCCC2)cc(F)c1F
InChIInChI=1S/C22H21F3O/c23-19-10-16(15-6-7-15)8-9-17(19)13-26-21-12-18(11-20(24)22(21)25)14-4-2-1-3-5-14/h4,8-12,15H,1-3,5-7,13H2
InChIKeyBLVZCKQBOZCKQV-UHFFFAOYSA-N
MW358.40 g/mol
LogP6.52
Rot. Bonds5

About 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene

5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene (PubChem CID 163457680) has the molecular formula C22H21F3O and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene
PubChem CID163457680
Molecular FormulaC22H21F3O
Molecular Weight358.40 g/mol
Exact Mass358.15
IUPAC Name5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1cc(C2CC2)ccc1COc1cc(C2=CCCCC2)cc(F)c1F
InChIInChI=1S/C22H21F3O/c23-19-10-16(15-6-7-15)8-9-17(19)13-26-21-12-18(11-20(24)22(21)25)14-4-2-1-3-5-14/h4,8-12,15H,1-3,5-7,13H2
InChIKeyBLVZCKQBOZCKQV-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
CID 168922268
1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene
CID 141079392
5-[4-(cyclopenten-1-yl)phenyl]-1,2,3-trifluorobenzene
CID 58273356
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-thiol
CID 134374972
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-ol
CID 141391242
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-one
CID 18787931
2-(cyclohexen-1-yl)-1-(2-fluoroethoxy)-4-(4-propylcyclohexyl)benzene
CID 87253088
N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
CID 62490162
2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol
CID 129135375
5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141585
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
The IUPAC name of 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene (CID 163457680) is 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
The canonical SMILES for 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene is Fc1cc(C2CC2)ccc1COc1cc(C2=CCCCC2)cc(F)c1F.
What is the InChIKey of 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
The InChIKey is BLVZCKQBOZCKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3O/c23-19-10-16(15-6-7-15)8-9-17(19)13-26-21-12-18(11-20(24)22(21)25)14-4-2-1-3-5-14/h4,8-12,15H,1-3,5-7,13H2.
What are the key properties of 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene has a molecular weight of 358.40 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 163457680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).