1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane

C16H28F2 — CID 69029660

IUPAC1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C)C(F)(F)C2)CC1
InChIInChI=1S/C16H28F2/c1-3-4-13-6-9-14(10-7-13)15-8-5-12(2)16(17,18)11-15/h12-15H,3-11H2,1-2H3
InChIKeyYEIPQMYDIGVAGV-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.66
Rot. Bonds3

About 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane

1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane (PubChem CID 69029660) has the molecular formula C16H28F2 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane
PubChem CID69029660
Molecular FormulaC16H28F2
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(C)C(F)(F)C2)CC1
InChIInChI=1S/C16H28F2/c1-3-4-13-6-9-14(10-7-13)15-8-5-12(2)16(17,18)11-15/h12-15H,3-11H2,1-2H3
InChIKeyYEIPQMYDIGVAGV-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-[(1R,4S)-2,2-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-4-ethylbenzene
CID 139604028
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
ethane;propane;propylcyclopropane
CID 145406182
1,1-difluoro-2-methyl-5-[(4-methylcyclohexyl)methyl]cyclohexane
CID 130261235
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
[(1R,4R)-3,3-difluoro-4-methylcyclohexyl]methanol
CID 118558757
(2R)-1,1-difluoro-2,5-dimethylcyclohexane
CID 59909083
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane (CID 69029660) is 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(C)C(F)(F)C2)CC1.
What is the InChIKey of 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
The InChIKey is YEIPQMYDIGVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2/c1-3-4-13-6-9-14(10-7-13)15-8-5-12(2)16(17,18)11-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane?
1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane has a molecular weight of 258.40 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-5-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 69029660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).