1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene

C15H20F2O — CID 142809976

IUPAC1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2cc(F)ccc2F)CCC(C)CC1
InChIInChI=1S/C15H20F2O/c1-11-5-7-15(18-2,8-6-11)10-12-9-13(16)3-4-14(12)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyNNHAGETWPCJODE-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.10
Rot. Bonds3

About 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene

1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene (PubChem CID 142809976) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
PubChem CID142809976
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2cc(F)ccc2F)CCC(C)CC1
InChIInChI=1S/C15H20F2O/c1-11-5-7-15(18-2,8-6-11)10-12-9-13(16)3-4-14(12)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyNNHAGETWPCJODE-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene (CID 142809976) is 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene is COC1(Cc2cc(F)ccc2F)CCC(C)CC1.
What is the InChIKey of 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
The InChIKey is NNHAGETWPCJODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-11-5-7-15(18-2,8-6-11)10-12-9-13(16)3-4-14(12)17/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene?
1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene has a molecular weight of 254.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-[(1-methoxy-4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 142809976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).