1,4-dichloro-2-(fluoromethyl)benzene

C7H5Cl2F — CID 175609206

IUPAC1,4-dichloro-2-(fluoromethyl)benzene
SMILESFCc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H5Cl2F/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4H2
InChIKeyXEHNHPAWYRWVLK-UHFFFAOYSA-N
MW179.02 g/mol
LogP3.46
Rot. Bonds1

About 1,4-dichloro-2-(fluoromethyl)benzene

1,4-dichloro-2-(fluoromethyl)benzene (PubChem CID 175609206) has the molecular formula C7H5Cl2F and a molecular weight of 179.02 g/mol. Its IUPAC name is 1,4-dichloro-2-(fluoromethyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(fluoromethyl)benzene
PubChem CID175609206
Molecular FormulaC7H5Cl2F
Molecular Weight179.02 g/mol
Exact Mass177.98
IUPAC Name1,4-dichloro-2-(fluoromethyl)benzene
SMILESFCc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H5Cl2F/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4H2
InChIKeyXEHNHPAWYRWVLK-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.02
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dichloro-2-(fluoromethyl)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

azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
(2,5-dichlorophenyl)methanethiol
CID 21489083
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
(2,5-dichlorophenyl)methoxyazanium
CID 3797844
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(fluoromethyl)benzene?
The IUPAC name of 1,4-dichloro-2-(fluoromethyl)benzene (CID 175609206) is 1,4-dichloro-2-(fluoromethyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(fluoromethyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(fluoromethyl)benzene is FCc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(fluoromethyl)benzene?
The InChIKey is XEHNHPAWYRWVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4H2.
What are the key properties of 1,4-dichloro-2-(fluoromethyl)benzene?
1,4-dichloro-2-(fluoromethyl)benzene has a molecular weight of 179.02 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(fluoromethyl)benzene is sourced from PubChem (CID 175609206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).