1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

C22H22F6O — CID 71583093

IUPAC1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6O/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-29-15-20(9-5-2-6-10-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-13H,2,5-6,9-10,14-15H2
InChIKeyFFHLOFOSIPUNDM-UHFFFAOYSA-N
MW416.41 g/mol
LogP7.14
Rot. Bonds5

About 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 71583093) has the molecular formula C22H22F6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID71583093
Molecular FormulaC22H22F6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H22F6O/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-29-15-20(9-5-2-6-10-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-13H,2,5-6,9-10,14-15H2
InChIKeyFFHLOFOSIPUNDM-UHFFFAOYSA-N
XLogP7.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (CID 71583093) is 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(COCC2(c3ccccc3)CCCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is FFHLOFOSIPUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6O/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-29-15-20(9-5-2-6-10-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-13H,2,5-6,9-10,14-15H2.
What are the key properties of 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 416.41 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 71583093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).