4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one

C19H15F5O2 — CID 142175647

IUPAC4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(C(F)(F)F)cc2)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H15F5O2/c20-13-3-6-17(21)16(11-13)18(9-7-14(25)8-10-18)26-15-4-1-12(2-5-15)19(22,23)24/h1-6,11H,7-10H2
InChIKeyWOKJSNITVJNEMD-UHFFFAOYSA-N
MW370.32 g/mol
LogP5.40
Rot. Bonds3

About 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one

4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one (PubChem CID 142175647) has the molecular formula C19H15F5O2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one
PubChem CID142175647
Molecular FormulaC19H15F5O2
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one
SMILESO=C1CCC(Oc2ccc(C(F)(F)F)cc2)(c2cc(F)ccc2F)CC1
InChIInChI=1S/C19H15F5O2/c20-13-3-6-17(21)16(11-13)18(9-7-14(25)8-10-18)26-15-4-1-12(2-5-15)19(22,23)24/h1-6,11H,7-10H2
InChIKeyWOKJSNITVJNEMD-UHFFFAOYSA-N
XLogP5.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one?
The IUPAC name of 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one (CID 142175647) is 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one.
What is the SMILES notation for 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one?
The canonical SMILES for 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one is O=C1CCC(Oc2ccc(C(F)(F)F)cc2)(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one?
The InChIKey is WOKJSNITVJNEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5O2/c20-13-3-6-17(21)16(11-13)18(9-7-14(25)8-10-18)26-15-4-1-12(2-5-15)19(22,23)24/h1-6,11H,7-10H2.
What are the key properties of 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one?
4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one has a molecular weight of 370.32 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-one is sourced from PubChem (CID 142175647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).