4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane

C20H30F6O — CID 89326311

IUPAC4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane
SMILESFC1CC(C2CCCCC2)CCC1C(F)(F)OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H30F6O/c21-18-12-14(13-4-2-1-3-5-13)6-11-17(18)20(25,26)27-16-9-7-15(8-10-16)19(22,23)24/h13-18H,1-12H2
InChIKeyAJNCKFWLYRSESC-UHFFFAOYSA-N
MW400.45 g/mol
LogP7.05
Rot. Bonds4

About 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane

4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane (PubChem CID 89326311) has the molecular formula C20H30F6O and a molecular weight of 400.45 g/mol. Its IUPAC name is 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane
PubChem CID89326311
Molecular FormulaC20H30F6O
Molecular Weight400.45 g/mol
Exact Mass400.22
IUPAC Name4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane
SMILESFC1CC(C2CCCCC2)CCC1C(F)(F)OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H30F6O/c21-18-12-14(13-4-2-1-3-5-13)6-11-17(18)20(25,26)27-16-9-7-15(8-10-16)19(22,23)24/h13-18H,1-12H2
InChIKeyAJNCKFWLYRSESC-UHFFFAOYSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexyl-1-[difluoro-[3-fluoro-4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane
CID 89326314
1-cyclopentyl-4-(trifluoromethyl)cyclohexane
CID 70984825
5-(4-cyclohexylcyclohexyl)-2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluorocyclohexane
CID 89323921
4-[(4-cyclohexyl-2,6-difluorocyclohexyl)-difluoromethoxy]cyclohexane-1-carbonitrile
CID 71161722
5-(4-cyclohexyl-2-fluorocyclohexyl)-2-[[3,5-difluoro-4-(trifluoromethoxy)cyclohexyl]oxy-difluoromethyl]-1,3-difluorocyclohexane
CID 89323801
4-[[4-(4-cyclohexyl-2-fluorocyclohexyl)-2,6-difluorocyclohexyl]-difluoromethoxy]-2,6-difluorocyclohexane-1-carbonitrile
CID 89323802
1-[cyclohexyloxy(difluoro)methyl]-4-methylcyclohexane
CID 142035391
2-[[3,5-difluoro-4-(trifluoromethyl)cyclohexyl]oxy-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)cyclohexane
CID 143114577
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88585675
4-[difluoro-(2-fluoro-4-methylcyclohexyl)methoxy]-2,6-difluorocyclohexane-1-carbonitrile
CID 142184890
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
The IUPAC name of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane (CID 89326311) is 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
The canonical SMILES for 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane is FC1CC(C2CCCCC2)CCC1C(F)(F)OC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
The InChIKey is AJNCKFWLYRSESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F6O/c21-18-12-14(13-4-2-1-3-5-13)6-11-17(18)20(25,26)27-16-9-7-15(8-10-16)19(22,23)24/h13-18H,1-12H2.
What are the key properties of 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane?
4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane has a molecular weight of 400.45 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[difluoro-[4-(trifluoromethyl)cyclohexyl]oxymethyl]-2-fluorocyclohexane is sourced from PubChem (CID 89326311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).