2-chloro-1-fluoro-4-(fluoromethyl)benzene

C7H5ClF2 — CID 84651474

IUPAC2-chloro-1-fluoro-4-(fluoromethyl)benzene
SMILESFCc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H5ClF2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4H2
InChIKeyZLWQNXPAODYONS-UHFFFAOYSA-N
MW162.57 g/mol
LogP2.95
Rot. Bonds1

About 2-chloro-1-fluoro-4-(fluoromethyl)benzene

2-chloro-1-fluoro-4-(fluoromethyl)benzene (PubChem CID 84651474) has the molecular formula C7H5ClF2 and a molecular weight of 162.57 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(fluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(fluoromethyl)benzene
PubChem CID84651474
Molecular FormulaC7H5ClF2
Molecular Weight162.57 g/mol
Exact Mass162.00
IUPAC Name2-chloro-1-fluoro-4-(fluoromethyl)benzene
SMILESFCc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H5ClF2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4H2
InChIKeyZLWQNXPAODYONS-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.57
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
(3-chloro-4-fluorophenyl)methanesulfinic acid
CID 165449429
(3-chloro-4-fluorophenyl)methanesulfinate
CID 175536227
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
CID 23325936
2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene
CID 91657109
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
2-chloro-1-fluoro-4-(nitromethyl)benzene
CID 87467608
2-(3-chloro-4-fluorophenyl)ethanethioamide
CID 82671537
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
2-chloro-1-fluoro-4-(methylsulfonylmethyl)benzene
CID 2761444
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(fluoromethyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(fluoromethyl)benzene (CID 84651474) is 2-chloro-1-fluoro-4-(fluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(fluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(fluoromethyl)benzene is FCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-(fluoromethyl)benzene?
The InChIKey is ZLWQNXPAODYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,4H2.
What are the key properties of 2-chloro-1-fluoro-4-(fluoromethyl)benzene?
2-chloro-1-fluoro-4-(fluoromethyl)benzene has a molecular weight of 162.57 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(fluoromethyl)benzene is sourced from PubChem (CID 84651474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).