1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene

C18H18ClFO — CID 107691161

IUPAC1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1cc(CCl)ccc1OCC1CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-11-13-8-9-18(17(20)10-13)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7-10,15H,3,5-6,11-12H2
InChIKeyMOEKCJMNKCEEQW-UHFFFAOYSA-N
MW304.79 g/mol
LogP5.06
Rot. Bonds4

About 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene

1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 107691161) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID107691161
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1cc(CCl)ccc1OCC1CCCc2ccccc21
InChIInChI=1S/C18H18ClFO/c19-11-13-8-9-18(17(20)10-13)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7-10,15H,3,5-6,11-12H2
InChIKeyMOEKCJMNKCEEQW-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.79
LogP ≤ 55.06
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-[(5-bromo-2-fluorophenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114672636
1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 115956622
[3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 63771057
4-(chloromethyl)-1-(cyclopentylmethoxy)-2-fluorobenzene
CID 107691255
7-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66417199
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771052
[2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)phenyl]methanamine
CID 114318313
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
2-chloro-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63772089
3-bromo-5-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771567
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63772616

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene (CID 107691161) is 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene is Fc1cc(CCl)ccc1OCC1CCCc2ccccc21.
What is the InChIKey of 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MOEKCJMNKCEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-11-13-8-9-18(17(20)10-13)21-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7-10,15H,3,5-6,11-12H2.
What are the key properties of 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene?
1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 304.79 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 107691161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).