ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen

C14H21FO — CID 142101023

IUPACethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen
SMILESCC.O=C1CCC(c2ccc(F)cc2)CC1.[H][H]
InChIInChI=1S/C12H13FO.C2H6.H2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2;/h1-2,5-6,10H,3-4,7-8H2;1-2H3;1H
InChIKeyNMLRMZONXCIYPM-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.32
Rot. Bonds1

About ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen

ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen (PubChem CID 142101023) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen
PubChem CID142101023
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Nameethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen
SMILESCC.O=C1CCC(c2ccc(F)cc2)CC1.[H][H]
InChIInChI=1S/C12H13FO.C2H6.H2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2;/h1-2,5-6,10H,3-4,7-8H2;1-2H3;1H
InChIKeyNMLRMZONXCIYPM-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349
5-(4-fluorophenyl)cyclohexane-1,3-dione
CID 730136
4-(4-chloro-3-fluorophenyl)cyclohexan-1-one
CID 134381360
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
1-[4-(4-fluorophenyl)cyclohexyl]ethanone
CID 15047101
1-[4-(bromomethyl)cyclohexyl]-4-fluorobenzene
CID 177244995
3-(4-fluorophenyl)cyclobutan-1-one;methyl formate
CID 175301276

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen?
The IUPAC name of ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen (CID 142101023) is ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen.
What is the SMILES notation for ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen?
The canonical SMILES for ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen is CC.O=C1CCC(c2ccc(F)cc2)CC1.[H][H].
What is the InChIKey of ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen?
The InChIKey is NMLRMZONXCIYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO.C2H6.H2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2;/h1-2,5-6,10H,3-4,7-8H2;1-2H3;1H.
What are the key properties of ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen?
ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen has a molecular weight of 224.32 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-fluorophenyl)cyclohexan-1-one;molecular hydrogen is sourced from PubChem (CID 142101023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).