1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene

C20H25F5O — CID 10926907

IUPAC1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene
SMILESFc1ccc(C2CCC(C3CCC(COC(F)(F)F)CC3)CC2)cc1F
InChIInChI=1S/C20H25F5O/c21-18-10-9-17(11-19(18)22)16-7-5-15(6-8-16)14-3-1-13(2-4-14)12-26-20(23,24)25/h9-11,13-16H,1-8,12H2
InChIKeyKEULZWOVELUIRX-UHFFFAOYSA-N
MW376.41 g/mol
LogP6.58
Rot. Bonds4

About 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene

1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 10926907) has the molecular formula C20H25F5O and a molecular weight of 376.41 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene
PubChem CID10926907
Molecular FormulaC20H25F5O
Molecular Weight376.41 g/mol
Exact Mass376.18
IUPAC Name1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene
SMILESFc1ccc(C2CCC(C3CCC(COC(F)(F)F)CC3)CC2)cc1F
InChIInChI=1S/C20H25F5O/c21-18-10-9-17(11-19(18)22)16-7-5-15(6-8-16)14-3-1-13(2-4-14)12-26-20(23,24)25/h9-11,13-16H,1-8,12H2
InChIKeyKEULZWOVELUIRX-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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FP2OcHPa
CID 23391131
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2-(2-methoxyethyl)-3-phenyl-1-[4-(trifluoromethyl)phenyl]-1H-indene
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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene (CID 10926907) is 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene is Fc1ccc(C2CCC(C3CCC(COC(F)(F)F)CC3)CC2)cc1F.
What is the InChIKey of 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is KEULZWOVELUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F5O/c21-18-10-9-17(11-19(18)22)16-7-5-15(6-8-16)14-3-1-13(2-4-14)12-26-20(23,24)25/h9-11,13-16H,1-8,12H2.
What are the key properties of 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene?
1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 376.41 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[4-(trifluoromethoxymethyl)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 10926907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).