1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene

C7H3ClF4 — CID 15893033

IUPAC1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCc1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C7H3ClF4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3
InChIKeyPEVAKFLYJORONK-UHFFFAOYSA-N
MW198.55 g/mol
LogP3.20
Rot. Bonds

About 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene

1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene (PubChem CID 15893033) has the molecular formula C7H3ClF4 and a molecular weight of 198.55 g/mol. Its IUPAC name is 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene
PubChem CID15893033
Molecular FormulaC7H3ClF4
Molecular Weight198.55 g/mol
Exact Mass197.99
IUPAC Name1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCc1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C7H3ClF4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3
InChIKeyPEVAKFLYJORONK-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.55
LogP ≤ 53.20
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

(Chloromethyl)pentafluorobenzene
CID 69557
4-Chloro-2-fluorotoluene
CID 520630
4-Chloro-3-fluorobenzotrifluoride
CID 2736545
1-Chloro-2-fluoro-4-methylbenzene
CID 2736590
3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride
CID 2778195
1-Chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 2782486
2,3,4,5,6-Pentafluoro(chlorodifluoromethyl)benzene
CID 12696400
1-Chloro-2,3,5,6-tetrafluoro-4-(trichloromethyl)benzene
CID 13416584
1-Chloro-2,3,4,5-tetrafluoro-6-(trifluoromethyl)benzene
CID 228600
2,4,6-Trichloropentafluorotoluene
CID 86037738
Benzene, 1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluoro-
CID 23272706
4-Chloro-3,5-difluorobenzotrifluoride
CID 13555752

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene?
The IUPAC name of 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene (CID 15893033) is 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene.
What is the SMILES notation for 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene?
The canonical SMILES for 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene is Cc1c(F)c(F)c(Cl)c(F)c1F.
What is the InChIKey of 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene?
The InChIKey is PEVAKFLYJORONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3.
What are the key properties of 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene?
1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene has a molecular weight of 198.55 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,5,6-tetrafluoro-4-methylbenzene is sourced from PubChem (CID 15893033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).