1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone

C19H25FO2 — CID 145191840

IUPAC1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone
SMILESCC(=O)C1CCC(C2CCC(c3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C19H25FO2/c1-13(21)19-11-8-17(12-22-19)16-4-2-14(3-5-16)15-6-9-18(20)10-7-15/h6-7,9-10,14,16-17,19H,2-5,8,11-12H2,1H3
InChIKeyUBDDPCMFDGXCTF-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.48
Rot. Bonds3

About 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone

1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone (PubChem CID 145191840) has the molecular formula C19H25FO2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone
PubChem CID145191840
Molecular FormulaC19H25FO2
Molecular Weight304.40 g/mol
Exact Mass304.18
IUPAC Name1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone
SMILESCC(=O)C1CCC(C2CCC(c3ccc(F)cc3)CC2)CO1
InChIInChI=1S/C19H25FO2/c1-13(21)19-11-8-17(12-22-19)16-4-2-14(3-5-16)15-6-9-18(20)10-7-15/h6-7,9-10,14,16-17,19H,2-5,8,11-12H2,1H3
InChIKeyUBDDPCMFDGXCTF-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-4-phenylcyclohexan-1-one
CID 19030151
Ethyl 3,3-difluoro-2-oxo-4-phenylhex-5-enoate
CID 9993153
Ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
CID 10684606
9-(4-Fluorophenyl)-4,5-dioxo-1,2,3,4,5,6,7,8-octahydro-9h-xanthene
CID 129781885
Ethyl 4-(4-fluorophenyl)-2-oxopentanoate
CID 135070440
ethyl (2R)-2-fluoro-4,4-diphenylbutanoate
CID 155930748
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-difluoro-6-phenylhexanoate
CID 164676063
methyl 2-[(1S,2R,6R)-2-(4-fluorophenyl)-4-methyl-6-phenylcyclohex-3-en-1-yl]-2-oxoacetate
CID 168329187
(5S,6S)-5-(4-fluorophenyl)-6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 168350800
ethyl (3S,4S)-3-(4-fluorophenyl)-4-(p-tolyl)pentanoate
CID 172418798
ethyl (3R,4S)-3-(4-fluorophenyl)-4-(p-tolyl)pentanoate
CID 172418799
ethyl (S)-4-(2-fluorophenyl)-4-phenylbutanoate
CID 172418832

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone?
The IUPAC name of 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone (CID 145191840) is 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone is CC(=O)C1CCC(C2CCC(c3ccc(F)cc3)CC2)CO1.
What is the InChIKey of 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone?
The InChIKey is UBDDPCMFDGXCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FO2/c1-13(21)19-11-8-17(12-22-19)16-4-2-14(3-5-16)15-6-9-18(20)10-7-15/h6-7,9-10,14,16-17,19H,2-5,8,11-12H2,1H3.
What are the key properties of 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone?
1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone has a molecular weight of 304.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-fluorophenyl)cyclohexyl]oxan-2-yl]ethanone is sourced from PubChem (CID 145191840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).