1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene

C17H11BrClFO — CID 107087825

IUPAC1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene
SMILESFc1cc(CBr)ccc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H11BrClFO/c18-10-11-5-7-17(15(20)9-11)21-16-8-6-14(19)12-3-1-2-4-13(12)16/h1-9H,10H2
InChIKeySPTLTNDOWMRQAB-UHFFFAOYSA-N
MW365.63 g/mol
LogP6.32
Rot. Bonds3

About 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene

1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene (PubChem CID 107087825) has the molecular formula C17H11BrClFO and a molecular weight of 365.63 g/mol. Its IUPAC name is 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene
PubChem CID107087825
Molecular FormulaC17H11BrClFO
Molecular Weight365.63 g/mol
Exact Mass363.97
IUPAC Name1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene
SMILESFc1cc(CBr)ccc1Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H11BrClFO/c18-10-11-5-7-17(15(20)9-11)21-16-8-6-14(19)12-3-1-2-4-13(12)16/h1-9H,10H2
InChIKeySPTLTNDOWMRQAB-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.63
LogP ≤ 56.32
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

4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
1-[4-(bromomethyl)-2-fluorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500397
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895
4-(bromomethyl)-1-(5-chloro-2-nitrophenoxy)-2-fluorobenzene
CID 107088334
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethylbenzene
CID 107087006
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
1-[4-(bromomethyl)-2-fluorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087600
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881
5-bromo-2-(4-chloronaphthalen-1-yl)oxyaniline
CID 26190495

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene?
The IUPAC name of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene (CID 107087825) is 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene.
What is the SMILES notation for 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene?
The canonical SMILES for 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene is Fc1cc(CBr)ccc1Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene?
The InChIKey is SPTLTNDOWMRQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClFO/c18-10-11-5-7-17(15(20)9-11)21-16-8-6-14(19)12-3-1-2-4-13(12)16/h1-9H,10H2.
What are the key properties of 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene?
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene has a molecular weight of 365.63 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloronaphthalene is sourced from PubChem (CID 107087825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).