1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene

C15H20F2O — CID 20705614

IUPAC1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OC(F)(F)C2CCC(C)CC2)cc1
InChIInChI=1S/C15H20F2O/c1-11-3-7-13(8-4-11)15(16,17)18-14-9-5-12(2)6-10-14/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyRXRGJEDQSMSGHZ-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.79
Rot. Bonds3

About 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene

1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene (PubChem CID 20705614) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene
PubChem CID20705614
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OC(F)(F)C2CCC(C)CC2)cc1
InChIInChI=1S/C15H20F2O/c1-11-3-7-13(8-4-11)15(16,17)18-14-9-5-12(2)6-10-14/h5-6,9-11,13H,3-4,7-8H2,1-2H3
InChIKeyRXRGJEDQSMSGHZ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene?
The IUPAC name of 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene (CID 20705614) is 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene.
What is the SMILES notation for 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene?
The canonical SMILES for 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene is Cc1ccc(OC(F)(F)C2CCC(C)CC2)cc1.
What is the InChIKey of 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene?
The InChIKey is RXRGJEDQSMSGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-11-3-7-13(8-4-11)15(16,17)18-14-9-5-12(2)6-10-14/h5-6,9-11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene?
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene has a molecular weight of 254.32 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene is sourced from PubChem (CID 20705614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).