1-(chloromethyl)-3-(trifluoromethyl)benzene

C8H5ClF3- — CID 139242995

IUPAC1-(chloromethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc([CH-]Cl)c1
InChIInChI=1S/C8H5ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-5H/q-1
InChIKeyIAMOSRMLNAPBGV-UHFFFAOYSA-N
MW193.58 g/mol
LogP3.45
Rot. Bonds1

About 1-(chloromethyl)-3-(trifluoromethyl)benzene

1-(chloromethyl)-3-(trifluoromethyl)benzene (PubChem CID 139242995) has the molecular formula C8H5ClF3- and a molecular weight of 193.58 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(trifluoromethyl)benzene
PubChem CID139242995
Molecular FormulaC8H5ClF3-
Molecular Weight193.58 g/mol
Exact Mass193.00
IUPAC Name1-(chloromethyl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc([CH-]Cl)c1
InChIInChI=1S/C8H5ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-5H/q-1
InChIKeyIAMOSRMLNAPBGV-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(trifluoromethyl)benzenethiolate
CID 6930699
dichloro-[3-(trifluoromethyl)phenyl]bismuthane
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1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
[3-(trifluoromethyl)phenyl]aluminum(2+)
CID 87243472
CID 86152769
CID 86152769
CID 68547080
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bis[3-(trifluoromethyl)phenyl]iodanium tetrafluoroborate
CID 155979684
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
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phenyl-[3-(trifluoromethyl)phenyl]iodanium bromide
CID 171372621

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(chloromethyl)-3-(trifluoromethyl)benzene (CID 139242995) is 1-(chloromethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(chloromethyl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc([CH-]Cl)c1.
What is the InChIKey of 1-(chloromethyl)-3-(trifluoromethyl)benzene?
The InChIKey is IAMOSRMLNAPBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-5H/q-1.
What are the key properties of 1-(chloromethyl)-3-(trifluoromethyl)benzene?
1-(chloromethyl)-3-(trifluoromethyl)benzene has a molecular weight of 193.58 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 139242995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).