1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane

C12H18F4 — CID 89198348

IUPAC1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane
SMILESFC1CCC(C2CC(F)C(F)C(F)C2)CC1
InChIInChI=1S/C12H18F4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h7-12H,1-6H2
InChIKeyIKZJPQOCWMPLGQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.94
Rot. Bonds1

About 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane

1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane (PubChem CID 89198348) has the molecular formula C12H18F4 and a molecular weight of 238.27 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane.

Molecular Properties

Compound Name1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane
PubChem CID89198348
Molecular FormulaC12H18F4
Molecular Weight238.27 g/mol
Exact Mass238.13
IUPAC Name1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane
SMILESFC1CCC(C2CC(F)C(F)C(F)C2)CC1
InChIInChI=1S/C12H18F4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h7-12H,1-6H2
InChIKeyIKZJPQOCWMPLGQ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
CID 143002994
5-(4-cyclohexylcyclohexyl)-2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluorocyclohexane
CID 89323921
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
CID 122534276
4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane
CID 175202210
1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane
CID 89407524
5-(4-methylcyclohexyl)-2-[(3S)-3,4,5-trifluorocyclohexyl]-1,3-dioxane
CID 89343824
5-[4-(4-ethylcyclohexyl)-2-fluorocyclohexyl]-1,2,3-trifluorocyclohexane
CID 88960394
3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 88928391
3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexan-1-ol
CID 23534734
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
2-[4-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-3,5-difluorocyclohexyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
CID 143266127
1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane
CID 142900031

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane?
The IUPAC name of 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane (CID 89198348) is 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane.
What is the SMILES notation for 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane?
The canonical SMILES for 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane is FC1CCC(C2CC(F)C(F)C(F)C2)CC1.
What is the InChIKey of 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane?
The InChIKey is IKZJPQOCWMPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h7-12H,1-6H2.
What are the key properties of 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane?
1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane has a molecular weight of 238.27 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane is sourced from PubChem (CID 89198348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).