1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene

C14H18F2 — CID 138600557

IUPAC1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene
SMILESCc1ccc(CC2CCCCC2(F)F)cc1
InChIInChI=1S/C14H18F2/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14(13,15)16/h5-8,13H,2-4,9-10H2,1H3
InChIKeyCGXZZPZABAKEHB-UHFFFAOYSA-N
MW224.29 g/mol
LogP4.36
Rot. Bonds2

About 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene

1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene (PubChem CID 138600557) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene
PubChem CID138600557
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene
SMILESCc1ccc(CC2CCCCC2(F)F)cc1
InChIInChI=1S/C14H18F2/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14(13,15)16/h5-8,13H,2-4,9-10H2,1H3
InChIKeyCGXZZPZABAKEHB-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene (CID 138600557) is 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene is Cc1ccc(CC2CCCCC2(F)F)cc1.
What is the InChIKey of 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene?
The InChIKey is CGXZZPZABAKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14(13,15)16/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene?
1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene has a molecular weight of 224.29 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene is sourced from PubChem (CID 138600557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).