chloromethane;1-chloro-4-(trifluoromethyl)benzene

C8H7Cl2F3 — CID 162019017

IUPACchloromethane;1-chloro-4-(trifluoromethyl)benzene
SMILESCCl.FC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C7H4ClF3.CH3Cl/c8-6-3-1-5(2-4-6)7(9,10)11;1-2/h1-4H;1H3
InChIKeyYUMRYCRDELLRMH-UHFFFAOYSA-N
MW231.04 g/mol
LogP4.21
Rot. Bonds

About chloromethane;1-chloro-4-(trifluoromethyl)benzene

chloromethane;1-chloro-4-(trifluoromethyl)benzene (PubChem CID 162019017) has the molecular formula C8H7Cl2F3 and a molecular weight of 231.04 g/mol. Its IUPAC name is chloromethane;1-chloro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Namechloromethane;1-chloro-4-(trifluoromethyl)benzene
PubChem CID162019017
Molecular FormulaC8H7Cl2F3
Molecular Weight231.04 g/mol
Exact Mass229.99
IUPAC Namechloromethane;1-chloro-4-(trifluoromethyl)benzene
SMILESCCl.FC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C7H4ClF3.CH3Cl/c8-6-3-1-5(2-4-6)7(9,10)11;1-2/h1-4H;1H3
InChIKeyYUMRYCRDELLRMH-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloromethane;1-chloro-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chlorobenzene;trifluoromethylbenzene
CID 159341337
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139245860
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-(4-chlorophenyl)-2,2-difluoroacetonitrile
CID 23568092
(4-chlorophenyl)-[(4-chlorophenyl)methyl]-[4-(trifluoromethyl)phenyl]sulfanium
CID 162552804
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-[chloro-bis[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 14292463
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 5360955

Frequently Asked Questions

What is the IUPAC name of chloromethane;1-chloro-4-(trifluoromethyl)benzene?
The IUPAC name of chloromethane;1-chloro-4-(trifluoromethyl)benzene (CID 162019017) is chloromethane;1-chloro-4-(trifluoromethyl)benzene.
What is the SMILES notation for chloromethane;1-chloro-4-(trifluoromethyl)benzene?
The canonical SMILES for chloromethane;1-chloro-4-(trifluoromethyl)benzene is CCl.FC(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of chloromethane;1-chloro-4-(trifluoromethyl)benzene?
The InChIKey is YUMRYCRDELLRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3.CH3Cl/c8-6-3-1-5(2-4-6)7(9,10)11;1-2/h1-4H;1H3.
What are the key properties of chloromethane;1-chloro-4-(trifluoromethyl)benzene?
chloromethane;1-chloro-4-(trifluoromethyl)benzene has a molecular weight of 231.04 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;1-chloro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162019017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).