1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene

C17H11ClF2O — CID 63565884

IUPAC1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
SMILESFc1cc(CCl)cc(F)c1Oc1cccc2ccccc12
InChIInChI=1S/C17H11ClF2O/c18-10-11-8-14(19)17(15(20)9-11)21-16-7-3-5-12-4-1-2-6-13(12)16/h1-9H,10H2
InChIKeyUULNOPBMSZIACN-UHFFFAOYSA-N
MW304.72 g/mol
LogP5.65
Rot. Bonds3

About 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene

1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene (PubChem CID 63565884) has the molecular formula C17H11ClF2O and a molecular weight of 304.72 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene.

Molecular Properties

Compound Name1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
PubChem CID63565884
Molecular FormulaC17H11ClF2O
Molecular Weight304.72 g/mol
Exact Mass304.05
IUPAC Name1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
SMILESFc1cc(CCl)cc(F)c1Oc1cccc2ccccc12
InChIInChI=1S/C17H11ClF2O/c18-10-11-8-14(19)17(15(20)9-11)21-16-7-3-5-12-4-1-2-6-13(12)16/h1-9H,10H2
InChIKeyUULNOPBMSZIACN-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.72
LogP ≤ 55.65
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

5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
5-(chloromethyl)-1,3-difluoro-2-(3-fluorophenoxy)benzene
CID 63076376
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
5-(chloromethyl)-2-(4-chlorophenoxy)-1,3-difluorobenzene
CID 63566239
5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene?
The IUPAC name of 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene (CID 63565884) is 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene.
What is the SMILES notation for 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene?
The canonical SMILES for 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene is Fc1cc(CCl)cc(F)c1Oc1cccc2ccccc12.
What is the InChIKey of 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene?
The InChIKey is UULNOPBMSZIACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2O/c18-10-11-8-14(19)17(15(20)9-11)21-16-7-3-5-12-4-1-2-6-13(12)16/h1-9H,10H2.
What are the key properties of 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene?
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene has a molecular weight of 304.72 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene is sourced from PubChem (CID 63565884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).