2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene

C10H9ClF4 — CID 53434186

IUPAC2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cccc(C(F)(F)F)c1CCCCl
InChIInChI=1S/C10H9ClF4/c11-6-2-3-7-8(10(13,14)15)4-1-5-9(7)12/h1,4-5H,2-3,6H2
InChIKeySERLJXVPZZKZIP-UHFFFAOYSA-N
MW240.63 g/mol
LogP4.02
Rot. Bonds3

About 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene

2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene (PubChem CID 53434186) has the molecular formula C10H9ClF4 and a molecular weight of 240.63 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene
PubChem CID53434186
Molecular FormulaC10H9ClF4
Molecular Weight240.63 g/mol
Exact Mass240.03
IUPAC Name2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene
SMILESFc1cccc(C(F)(F)F)c1CCCCl
InChIInChI=1S/C10H9ClF4/c11-6-2-3-7-8(10(13,14)15)4-1-5-9(7)12/h1,4-5H,2-3,6H2
InChIKeySERLJXVPZZKZIP-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118819842
2-(3-chloropropyl)-1-fluoro-3-methylbenzene
CID 118802920
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
2-(3-chloropropyl)-1-fluoro-3-nitrobenzene
CID 118802068
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
7-[2-fluoro-6-(trifluoromethyl)phenyl]heptane-2,5-dione
CID 22387504
2-(butoxymethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 91727031
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
CID 143764399
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]azetidine
CID 122238602
1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene
CID 91198653
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene (CID 53434186) is 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene is Fc1cccc(C(F)(F)F)c1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is SERLJXVPZZKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4/c11-6-2-3-7-8(10(13,14)15)4-1-5-9(7)12/h1,4-5H,2-3,6H2.
What are the key properties of 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene?
2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 240.63 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 53434186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).