1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene

C17H10ClF3 — CID 79754944

IUPAC1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene
SMILESFc1ccc(C(Cl)c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C17H10ClF3/c18-15(13-8-9-14(19)17(21)16(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,15H
InChIKeyYLQIIGSLVADEMN-UHFFFAOYSA-N
MW306.71 g/mol
LogP5.59
Rot. Bonds2

About 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene

1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene (PubChem CID 79754944) has the molecular formula C17H10ClF3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene
PubChem CID79754944
Molecular FormulaC17H10ClF3
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene
SMILESFc1ccc(C(Cl)c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C17H10ClF3/c18-15(13-8-9-14(19)17(21)16(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,15H
InChIKeyYLQIIGSLVADEMN-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.71
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991910
1-[chloro-(4-fluoro-3-methoxyphenyl)methyl]naphthalene
CID 81289253
1-[chloro-(2,3,4-trifluorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103303785
1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene
CID 141400649
1-[chloro-(2,4-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 79756723
1-[chloro-(3-chloro-5-methylphenyl)methyl]naphthalene
CID 81325201
1-bromo-4-[chloro-(2-fluoro-3-methylphenyl)methyl]naphthalene
CID 81482247
2-(2,3-difluorophenyl)-1-naphthalen-1-ylethanamine
CID 62715879
3-[chloro(naphthalen-1-yl)methyl]-2,5-dimethylthiophene
CID 63431997
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene?
The IUPAC name of 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene (CID 79754944) is 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene?
The canonical SMILES for 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene is Fc1ccc(C(Cl)c2cccc3ccccc23)c(F)c1F.
What is the InChIKey of 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene?
The InChIKey is YLQIIGSLVADEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3/c18-15(13-8-9-14(19)17(21)16(13)20)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,15H.
What are the key properties of 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene?
1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene has a molecular weight of 306.71 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,3,4-trifluorophenyl)methyl]naphthalene is sourced from PubChem (CID 79754944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).