1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene

C18H23F3O — CID 22983565

IUPAC1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(C(C2CC2)(C2CC2)C(F)(F)F)cc1
InChIInChI=1S/C18H23F3O/c1-16(2,3)22-15-10-8-14(9-11-15)17(12-4-5-12,13-6-7-13)18(19,20)21/h8-13H,4-7H2,1-3H3
InChIKeyZWHXJCMBMYYMJF-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.48
Rot. Bonds4

About 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene

1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 22983565) has the molecular formula C18H23F3O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID22983565
Molecular FormulaC18H23F3O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(C(C2CC2)(C2CC2)C(F)(F)F)cc1
InChIInChI=1S/C18H23F3O/c1-16(2,3)22-15-10-8-14(9-11-15)17(12-4-5-12,13-6-7-13)18(19,20)21/h8-13H,4-7H2,1-3H3
InChIKeyZWHXJCMBMYYMJF-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 163451177
1,1,2,2-tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diol
CID 58750857
1-tert-butyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzene
CID 13358025
1-cyclopropyl-1-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 70538287
2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene
CID 116841772
1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propan-2-ol
CID 162347258
1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
CID 116841666
2,2,3,3,3-pentafluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
CID 146005397
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene (CID 22983565) is 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccc(C(C2CC2)(C2CC2)C(F)(F)F)cc1.
What is the InChIKey of 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is ZWHXJCMBMYYMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3O/c1-16(2,3)22-15-10-8-14(9-11-15)17(12-4-5-12,13-6-7-13)18(19,20)21/h8-13H,4-7H2,1-3H3.
What are the key properties of 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene?
1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 312.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dicyclopropyl-2,2,2-trifluoroethyl)-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 22983565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).