2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one

C18H24F2O — CID 56988629

IUPAC2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one
SMILESCCCC1CCC(c2ccc(C(=O)C(C)F)c(F)c2)CC1
InChIInChI=1S/C18H24F2O/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(17(20)11-15)18(21)12(2)19/h9-14H,3-8H2,1-2H3
InChIKeyCCUQGRLRYBSIMW-UHFFFAOYSA-N
MW294.38 g/mol
LogP5.44
Rot. Bonds5

About 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one

2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one (PubChem CID 56988629) has the molecular formula C18H24F2O and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one
PubChem CID56988629
Molecular FormulaC18H24F2O
Molecular Weight294.38 g/mol
Exact Mass294.18
IUPAC Name2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one
SMILESCCCC1CCC(c2ccc(C(=O)C(C)F)c(F)c2)CC1
InChIInChI=1S/C18H24F2O/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(17(20)11-15)18(21)12(2)19/h9-14H,3-8H2,1-2H3
InChIKeyCCUQGRLRYBSIMW-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;phenyl 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 91162362
2-fluoro-4-(4-pentylcyclohexyl)benzoyl chloride
CID 54397331
[4-(trifluoromethoxy)phenyl] 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 71436680
5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
CID 89147445
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]prop-2-en-1-one
CID 19101207
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
[3,5-difluoro-4-(trifluoromethyl)phenyl] 2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 54352039
(4-fluorocyclohexyl) 2-fluoro-4-(4-heptylcyclohexyl)benzoate
CID 175685161
1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene
CID 123874382
[3,5-difluoro-4-(1,2,3,3,3-pentafluoroprop-1-enoxy)phenyl] 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 170842251

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one?
The IUPAC name of 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one (CID 56988629) is 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one.
What is the SMILES notation for 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one?
The canonical SMILES for 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one is CCCC1CCC(c2ccc(C(=O)C(C)F)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one?
The InChIKey is CCUQGRLRYBSIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2O/c1-3-4-13-5-7-14(8-6-13)15-9-10-16(17(20)11-15)18(21)12(2)19/h9-14H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one?
2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one has a molecular weight of 294.38 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one is sourced from PubChem (CID 56988629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).