1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene

C13H4ClF7 — CID 63429945

IUPAC1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C13H4ClF7/c14-8(5-3-4(15)1-2-6(5)16)7-9(17)11(19)13(21)12(20)10(7)18/h1-3,8H
InChIKeyGTSWPHSHJNBRPE-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.99
Rot. Bonds2

About 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene

1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 63429945) has the molecular formula C13H4ClF7 and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID63429945
Molecular FormulaC13H4ClF7
Molecular Weight328.61 g/mol
Exact Mass327.99
IUPAC Name1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C13H4ClF7/c14-8(5-3-4(15)1-2-6(5)16)7-9(17)11(19)13(21)12(20)10(7)18/h1-3,8H
InChIKeyGTSWPHSHJNBRPE-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 61085350
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
2-[chloro-(2,4-difluorophenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816483
2-(1-chloro-3-methylbutyl)-1,4-difluorobenzene
CID 61086362
2-(1-chloroprop-2-enyl)-1,4-difluorobenzene
CID 69215793
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084727
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
2-(1-chloro-2,2-dimethylbutyl)-1,4-difluorobenzene
CID 63430243

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene (CID 63429945) is 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene is Fc1ccc(F)c(C(Cl)c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is GTSWPHSHJNBRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4ClF7/c14-8(5-3-4(15)1-2-6(5)16)7-9(17)11(19)13(21)12(20)10(7)18/h1-3,8H.
What are the key properties of 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene?
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 328.61 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 63429945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).