1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone

C15H10ClF3O2 — CID 134105100

IUPAC1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1COc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C15H10ClF3O2/c16-11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(20)15(17,18)19/h1-8H,9H2
InChIKeyRXZIPCKRJDWYRS-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.66
Rot. Bonds4

About 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone

1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone (PubChem CID 134105100) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone
PubChem CID134105100
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccccc1COc1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C15H10ClF3O2/c16-11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(20)15(17,18)19/h1-8H,9H2
InChIKeyRXZIPCKRJDWYRS-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
2-[(3-chlorophenoxy)methyl]-5-fluorobenzenecarbothioamide
CID 63292817
4-[(3-chlorophenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19443900
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62460997
3-[(3-chlorophenoxy)methyl]-1H-indole-7-carboxylic acid
CID 117182144
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
3-[(3-chlorophenoxy)methyl]-1-methylindole-7-carboxylic acid
CID 117182146
N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55717207
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952085
2-[(3-iodophenoxy)methyl]benzohydrazide
CID 63576085

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone (CID 134105100) is 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone is O=C(c1ccccc1COc1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is RXZIPCKRJDWYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c16-11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)14(20)15(17,18)19/h1-8H,9H2.
What are the key properties of 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone?
1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 314.69 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 134105100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).