4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene

C20H20F4O — CID 174257785

IUPAC4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
SMILESFc1ccc(CCCC(C2CC2)C(F)(F)F)cc1Oc1ccccc1
InChIInChI=1S/C20H20F4O/c21-18-12-9-14(13-19(18)25-16-6-2-1-3-7-16)5-4-8-17(15-10-11-15)20(22,23)24/h1-3,6-7,9,12-13,15,17H,4-5,8,10-11H2
InChIKeyWRARQJLMZWUHNP-UHFFFAOYSA-N
MW352.37 g/mol
LogP6.53
Rot. Bonds7

About 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene

4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene (PubChem CID 174257785) has the molecular formula C20H20F4O and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
PubChem CID174257785
Molecular FormulaC20H20F4O
Molecular Weight352.37 g/mol
Exact Mass352.15
IUPAC Name4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
SMILESFc1ccc(CCCC(C2CC2)C(F)(F)F)cc1Oc1ccccc1
InChIInChI=1S/C20H20F4O/c21-18-12-9-14(13-19(18)25-16-6-2-1-3-7-16)5-4-8-17(15-10-11-15)20(22,23)24/h1-3,6-7,9,12-13,15,17H,4-5,8,10-11H2
InChIKeyWRARQJLMZWUHNP-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene (CID 174257785) is 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene is Fc1ccc(CCCC(C2CC2)C(F)(F)F)cc1Oc1ccccc1.
What is the InChIKey of 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene?
The InChIKey is WRARQJLMZWUHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4O/c21-18-12-9-14(13-19(18)25-16-6-2-1-3-7-16)5-4-8-17(15-10-11-15)20(22,23)24/h1-3,6-7,9,12-13,15,17H,4-5,8,10-11H2.
What are the key properties of 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene?
4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene has a molecular weight of 352.37 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 174257785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).