1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane

C16H26F4 — CID 140689381

IUPAC1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(C(F)(C2CCC(C)CC2)C(F)(F)F)CC1
InChIInChI=1S/C16H26F4/c1-11-3-7-13(8-4-11)15(17,16(18,19)20)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyNRZPSSDKCWHRQQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP5.91
Rot. Bonds2

About 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane

1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane (PubChem CID 140689381) has the molecular formula C16H26F4 and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
PubChem CID140689381
Molecular FormulaC16H26F4
Molecular Weight294.38 g/mol
Exact Mass294.20
IUPAC Name1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(C(F)(C2CCC(C)CC2)C(F)(F)F)CC1
InChIInChI=1S/C16H26F4/c1-11-3-7-13(8-4-11)15(17,16(18,19)20)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyNRZPSSDKCWHRQQ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
CID 20583760
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
1,4-ditert-butylcyclohexane;bis(1,4-dimethylcyclohexane)
CID 158485591
1-(1,1-difluoroprop-2-enyl)-4-methylcyclohexane
CID 129127578
2-amino-3,3,3-trifluoro-2-(4-methylcyclohexyl)propanoic acid
CID 64774277
1-methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]cyclohexane
CID 59015376
methane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 160612898
1-tert-butyl-4-methylcyclohexane;hydrobromide
CID 70497409
3-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-6-methylcyclohexene
CID 154548918
1-tert-butyl-4-methylcyclohexane;ethane;methane
CID 143180692
bis(1,4-dimethylcyclohexane);methane
CID 161326462

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane (CID 140689381) is 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane is CC1CCC(C(F)(C2CCC(C)CC2)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane?
The InChIKey is NRZPSSDKCWHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F4/c1-11-3-7-13(8-4-11)15(17,16(18,19)20)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane?
1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane has a molecular weight of 294.38 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1,2,2,2-tetrafluoro-1-(4-methylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 140689381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).