1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane

C12H20F2 — CID 130469055

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
SMILESCC1CCC(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C12H20F2/c1-9-2-4-10(5-3-9)6-11-7-12(13,14)8-11/h9-11H,2-8H2,1H3
InChIKeyYBWRELYACFGKHE-UHFFFAOYSA-N
MW202.29 g/mol
LogP4.25
Rot. Bonds2

About 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane

1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane (PubChem CID 130469055) has the molecular formula C12H20F2 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
PubChem CID130469055
Molecular FormulaC12H20F2
Molecular Weight202.29 g/mol
Exact Mass202.15
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
SMILESCC1CCC(CC2CC(F)(F)C2)CC1
InChIInChI=1S/C12H20F2/c1-9-2-4-10(5-3-9)6-11-7-12(13,14)8-11/h9-11H,2-8H2,1H3
InChIKeyYBWRELYACFGKHE-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
CID 167617145
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane
CID 130261235
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 138493538
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane (CID 130469055) is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane is CC1CCC(CC2CC(F)(F)C2)CC1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane?
The InChIKey is YBWRELYACFGKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2/c1-9-2-4-10(5-3-9)6-11-7-12(13,14)8-11/h9-11H,2-8H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane?
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane has a molecular weight of 202.29 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane is sourced from PubChem (CID 130469055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).