1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene

C17H10BrClF2 — CID 82772676

IUPAC1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
SMILESFc1cc(C(Br)c2cccc3ccccc23)c(F)cc1Cl
InChIInChI=1S/C17H10BrClF2/c18-17(13-8-16(21)14(19)9-15(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,17H
InChIKeyKPVSLHGELUTHHC-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.26
Rot. Bonds2

About 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene

1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene (PubChem CID 82772676) has the molecular formula C17H10BrClF2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
PubChem CID82772676
Molecular FormulaC17H10BrClF2
Molecular Weight367.62 g/mol
Exact Mass365.96
IUPAC Name1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
SMILESFc1cc(C(Br)c2cccc3ccccc23)c(F)cc1Cl
InChIInChI=1S/C17H10BrClF2/c18-17(13-8-16(21)14(19)9-15(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,17H
InChIKeyKPVSLHGELUTHHC-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2,5-difluorophenyl)-naphthalen-1-ylmethanamine
CID 82772989
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748
3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
CID 63444904
1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477492
1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991910
1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 104546466
1-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 82772679
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene
CID 63443034
1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene
CID 81449447
1-[bromo-(2-fluoro-3-methylphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477536
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 82772706

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene?
The IUPAC name of 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene (CID 82772676) is 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene?
The canonical SMILES for 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene is Fc1cc(C(Br)c2cccc3ccccc23)c(F)cc1Cl.
What is the InChIKey of 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene?
The InChIKey is KPVSLHGELUTHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClF2/c18-17(13-8-16(21)14(19)9-15(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,17H.
What are the key properties of 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene?
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene has a molecular weight of 367.62 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene is sourced from PubChem (CID 82772676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).