3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene

C7H3ClF4 — CID 151451275

IUPAC3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(F)c(F)c(Cl)c1F
InChIInChI=1S/C7H3ClF4/c8-5-6(11)3(2-9)1-4(10)7(5)12/h1H,2H2
InChIKeyPGNRBLPSMNMWLQ-UHFFFAOYSA-N
MW198.55 g/mol
LogP3.23
Rot. Bonds1

About 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene

3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene (PubChem CID 151451275) has the molecular formula C7H3ClF4 and a molecular weight of 198.55 g/mol. Its IUPAC name is 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene.

Molecular Properties

Compound Name3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene
PubChem CID151451275
Molecular FormulaC7H3ClF4
Molecular Weight198.55 g/mol
Exact Mass197.99
IUPAC Name3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene
SMILESFCc1cc(F)c(F)c(Cl)c1F
InChIInChI=1S/C7H3ClF4/c8-5-6(11)3(2-9)1-4(10)7(5)12/h1H,2H2
InChIKeyPGNRBLPSMNMWLQ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2,4,5-trifluorophenyl)acetonitrile
CID 115111003
3-(3-chloro-2,4,5-trifluorophenyl)propan-1-amine
CID 115113368
1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 117116150
3-chloro-1,2,4-trifluoro-5-(isocyanatomethyl)benzene
CID 117114804
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
O-[3,4-difluoro-5-(fluoromethyl)phenyl] chloromethanethioate
CID 134321147
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
CID 118802249
2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
CID 84780927
(5-bromo-3-chloro-2,4-difluorophenyl)methanol
CID 102171552
1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
CID 23325936

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene?
The IUPAC name of 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene (CID 151451275) is 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene.
What is the SMILES notation for 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene?
The canonical SMILES for 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene is FCc1cc(F)c(F)c(Cl)c1F.
What is the InChIKey of 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene?
The InChIKey is PGNRBLPSMNMWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4/c8-5-6(11)3(2-9)1-4(10)7(5)12/h1H,2H2.
What are the key properties of 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene?
3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene has a molecular weight of 198.55 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene is sourced from PubChem (CID 151451275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).