1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene

C13H10ClF3O — CID 43505685

IUPAC1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESFC(F)(F)COc1ccc2ccccc2c1CCl
InChIInChI=1S/C13H10ClF3O/c14-7-11-10-4-2-1-3-9(10)5-6-12(11)18-8-13(15,16)17/h1-6H,7-8H2
InChIKeyDPINLKYIASCSOD-UHFFFAOYSA-N
MW274.67 g/mol
LogP4.52
Rot. Bonds3

About 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene

1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 43505685) has the molecular formula C13H10ClF3O and a molecular weight of 274.67 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID43505685
Molecular FormulaC13H10ClF3O
Molecular Weight274.67 g/mol
Exact Mass274.04
IUPAC Name1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESFC(F)(F)COc1ccc2ccccc2c1CCl
InChIInChI=1S/C13H10ClF3O/c14-7-11-10-4-2-1-3-9(10)5-6-12(11)18-8-13(15,16)17/h1-6H,7-8H2
InChIKeyDPINLKYIASCSOD-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-2-(4,4,4-trifluorobutoxy)naphthalene
CID 115514409
N,N'-bis[2-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]butane-1,4-diamine
CID 44531144
N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
CID 43505572
1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637
1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
CID 43505675
4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
CID 62385709
4-bromo-2-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]thiophene
CID 63534351
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
4-(chloromethyl)-1-(2,2,2-trifluoroethoxy)isoquinoline
CID 106769394

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene (CID 43505685) is 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene is FC(F)(F)COc1ccc2ccccc2c1CCl.
What is the InChIKey of 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is DPINLKYIASCSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3O/c14-7-11-10-4-2-1-3-9(10)5-6-12(11)18-8-13(15,16)17/h1-6H,7-8H2.
What are the key properties of 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 274.67 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 43505685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).