ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane

C18H31FO — CID 142810006

IUPACethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
SMILESCC.CC1CCC(Cc2ccccc2F)CC1.COC
InChIInChI=1S/C14H19F.C2H6O.C2H6/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15;1-3-2;1-2/h2-5,11-12H,6-10H2,1H3;1-2H3;1-2H3
InChIKeyBTIVIZGFZYLULF-UHFFFAOYSA-N
MW282.44 g/mol
LogP5.48
Rot. Bonds2

About ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane

ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane (PubChem CID 142810006) has the molecular formula C18H31FO and a molecular weight of 282.44 g/mol. Its IUPAC name is ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane.

Molecular Properties

Compound Nameethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
PubChem CID142810006
Molecular FormulaC18H31FO
Molecular Weight282.44 g/mol
Exact Mass282.24
IUPAC Nameethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane
SMILESCC.CC1CCC(Cc2ccccc2F)CC1.COC
InChIInChI=1S/C14H19F.C2H6O.C2H6/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15;1-3-2;1-2/h2-5,11-12H,6-10H2,1H3;1-2H3;1-2H3
InChIKeyBTIVIZGFZYLULF-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane?
The IUPAC name of ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane (CID 142810006) is ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane.
What is the SMILES notation for ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane?
The canonical SMILES for ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane is CC.CC1CCC(Cc2ccccc2F)CC1.COC.
What is the InChIKey of ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane?
The InChIKey is BTIVIZGFZYLULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F.C2H6O.C2H6/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15;1-3-2;1-2/h2-5,11-12H,6-10H2,1H3;1-2H3;1-2H3.
What are the key properties of ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane?
ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane has a molecular weight of 282.44 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2-[(4-methylcyclohexyl)methyl]benzene;methoxymethane is sourced from PubChem (CID 142810006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).