1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene

C16H21F3O — CID 71024812

IUPAC1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene
SMILESCO[C@H](c1ccc(C(F)(F)F)cc1C)C1CCCCC1
InChIInChI=1S/C16H21F3O/c1-11-10-13(16(17,18)19)8-9-14(11)15(20-2)12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3/t15-/m0/s1
InChIKeyGOYSYRUSRVGWPB-HNNXBMFYSA-N
MW286.34 g/mol
LogP5.28
Rot. Bonds3

About 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene

1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene (PubChem CID 71024812) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene
PubChem CID71024812
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene
SMILESCO[C@H](c1ccc(C(F)(F)F)cc1C)C1CCCCC1
InChIInChI=1S/C16H21F3O/c1-11-10-13(16(17,18)19)8-9-14(11)15(20-2)12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3/t15-/m0/s1
InChIKeyGOYSYRUSRVGWPB-HNNXBMFYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene (CID 71024812) is 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene is CO[C@H](c1ccc(C(F)(F)F)cc1C)C1CCCCC1.
What is the InChIKey of 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene?
The InChIKey is GOYSYRUSRVGWPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-11-10-13(16(17,18)19)8-9-14(11)15(20-2)12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene?
1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene has a molecular weight of 286.34 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl(methoxy)methyl]-2-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 71024812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).