2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene

C13H12ClF5 — CID 18344229

IUPAC2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
SMILESFc1cc(C2CCC(F)CC2)cc(F)c1C(F)(F)Cl
InChIInChI=1S/C13H12ClF5/c14-13(18,19)12-10(16)5-8(6-11(12)17)7-1-3-9(15)4-2-7/h5-7,9H,1-4H2
InChIKeyUJDWPGNEAOESJH-UHFFFAOYSA-N
MW298.68 g/mol
LogP5.25
Rot. Bonds2

About 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene

2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene (PubChem CID 18344229) has the molecular formula C13H12ClF5 and a molecular weight of 298.68 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
PubChem CID18344229
Molecular FormulaC13H12ClF5
Molecular Weight298.68 g/mol
Exact Mass298.05
IUPAC Name2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
SMILESFc1cc(C2CCC(F)CC2)cc(F)c1C(F)(F)Cl
InChIInChI=1S/C13H12ClF5/c14-13(18,19)12-10(16)5-8(6-11(12)17)7-1-3-9(15)4-2-7/h5-7,9H,1-4H2
InChIKeyUJDWPGNEAOESJH-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.68
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro(difluoro)methyl]-5-(4-ethoxycyclohexyl)-1,3-difluorobenzene
CID 20654136
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene;2-[4-(2-fluoroethyl)cyclohexyl]-5-pentyl-1,3-dioxane
CID 158294877
2-[4-[4-[4-[chloro(difluoro)methyl]-3,5-difluorophenyl]cyclohexyl]cyclohexyl]-5-ethenyl-1,3-dioxane
CID 20653842
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20654096
5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 162547060
2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
CID 18344234
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexane-1-carbaldehyde
CID 19039186
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
1,3,5-tricyclopropylbenzene
CID 13056331
2-fluoro-4-(4-fluorocyclohexyl)benzonitrile
CID 18344277
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
The IUPAC name of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene (CID 18344229) is 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene.
What is the SMILES notation for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
The canonical SMILES for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene is Fc1cc(C2CCC(F)CC2)cc(F)c1C(F)(F)Cl.
What is the InChIKey of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
The InChIKey is UJDWPGNEAOESJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF5/c14-13(18,19)12-10(16)5-8(6-11(12)17)7-1-3-9(15)4-2-7/h5-7,9H,1-4H2.
What are the key properties of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene?
2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene has a molecular weight of 298.68 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene is sourced from PubChem (CID 18344229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).