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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Related Compounds

3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-[(2,2-difluorocyclopentyl)methoxysulfanyl]-4-methylbenzene
CID 134384573
1-[(2,2-dichlorocyclopropyl)methyl]-4-methylbenzene
CID 3282668
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
1-(cyclopropylmethyl)-4-methylbenzene
CID 3282669
4-[(2,2-difluoro-4-methylcyclooct-3-en-1-yl)methyl]benzoic acid
CID 162610092
3-methyl-4-[(4-methylphenyl)methyl]piperidin-3-ol
CID 115031654
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
[1-methoxycarbonyl-2-[(4-methylphenyl)methyl]cyclopentyl] benzoate
CID 91355009
[4-(cyclohexylmethyl)phenyl]-fluoro-bis(4-methylphenyl)-λ4-sulfane
CID 139924191
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933

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).