[4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate

C24H31F3O4 — CID 18960265

IUPAC[4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(C)F)CC3)c(F)c2)CC1
InChIInChI=1S/C24H31F3O4/c1-14(25)23(28)30-19-8-3-16(4-9-19)18-7-12-21(22(27)13-18)17-5-10-20(11-6-17)31-24(29)15(2)26/h7,12-17,19-20H,3-6,8-11H2,1-2H3
InChIKeyFEOPFHIUEKFMOY-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.68
Rot. Bonds6

About [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate

[4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate (PubChem CID 18960265) has the molecular formula C24H31F3O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate.

Molecular Properties

Compound Name[4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate
PubChem CID18960265
Molecular FormulaC24H31F3O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name[4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate
SMILESCC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(C)F)CC3)c(F)c2)CC1
InChIInChI=1S/C24H31F3O4/c1-14(25)23(28)30-19-8-3-16(4-9-19)18-7-12-21(22(27)13-18)17-5-10-20(11-6-17)31-24(29)15(2)26/h7,12-17,19-20H,3-6,8-11H2,1-2H3
InChIKeyFEOPFHIUEKFMOY-UHFFFAOYSA-N
XLogP5.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate with MolForge

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Related Compounds

FPMeOcHPa
CID 23391107
FP5OcHPa
CID 23391108
FP3OcHPa
CID 23391109
FP4OcHPa
CID 23391127
FP2OcHPa
CID 23391131
(2-Acetyloxy-3,6-diphenylcyclohexyl) acetate
CID 57509407
Ethyl 3-[4-[3-[4-(3-ethoxy-3-oxopropyl)phenyl]-1,1,1,4,4,4-hexafluorobutan-2-yl]phenyl]propanoate
CID 134949375
Trichobisabolin H
CID 146683372
Orf 8511
CID 198281
4,4-Bis(4-fluorophenyl)butyl acetate
CID 17940693
[2-(Acetyloxymethyl)-4-(2,4-difluorophenyl)pent-4-enyl] acetate
CID 15238264
[(2S)-2-cyclohexylpropyl] 3-[4-(trifluoromethyl)phenyl]propanoate
CID 17757883

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
The IUPAC name of [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate (CID 18960265) is [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate.
What is the SMILES notation for [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
The canonical SMILES for [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate is CC(F)C(=O)OC1CCC(c2ccc(C3CCC(OC(=O)C(C)F)CC3)c(F)c2)CC1.
What is the InChIKey of [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
The InChIKey is FEOPFHIUEKFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3O4/c1-14(25)23(28)30-19-8-3-16(4-9-19)18-7-12-21(22(27)13-18)17-5-10-20(11-6-17)31-24(29)15(2)26/h7,12-17,19-20H,3-6,8-11H2,1-2H3.
What are the key properties of [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate?
[4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate has a molecular weight of 440.50 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-4-[4-(2-fluoropropanoyloxy)cyclohexyl]phenyl]cyclohexyl] 2-fluoropropanoate is sourced from PubChem (CID 18960265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).