1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one

C18H17F3O4 — CID 101453821

IUPAC1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(OC)(C(=O)C(F)(F)F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17F3O4/c1-23-14-8-4-12(5-9-14)17(25-3,16(22)18(19,20)21)13-6-10-15(24-2)11-7-13/h4-11H,1-3H3
InChIKeyXZUQNKLAAHTMHO-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.73
Rot. Bonds6

About 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one

1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one (PubChem CID 101453821) has the molecular formula C18H17F3O4 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one
PubChem CID101453821
Molecular FormulaC18H17F3O4
Molecular Weight354.32 g/mol
Exact Mass354.11
IUPAC Name1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(OC)(C(=O)C(F)(F)F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17F3O4/c1-23-14-8-4-12(5-9-14)17(25-3,16(22)18(19,20)21)13-6-10-15(24-2)11-7-13/h4-11H,1-3H3
InChIKeyXZUQNKLAAHTMHO-UHFFFAOYSA-N
XLogP3.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
anisole;2,2,2-trifluoroacetic acid
CID 66633105
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
CID 532480
[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenyl] acetate
CID 18728940
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
2-amino-3,3-difluoro-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 44717264
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one (CID 101453821) is 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one is COc1ccc(C(OC)(C(=O)C(F)(F)F)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one?
The InChIKey is XZUQNKLAAHTMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O4/c1-23-14-8-4-12(5-9-14)17(25-3,16(22)18(19,20)21)13-6-10-15(24-2)11-7-13/h4-11H,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one?
1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one has a molecular weight of 354.32 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methoxy-3,3-bis(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 101453821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).