2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene

C17H20ClF5 — CID 20654060

IUPAC2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene
SMILESFCCC1CCC(CCc2cc(F)c(C(F)(F)Cl)c(F)c2)CC1
InChIInChI=1S/C17H20ClF5/c18-17(22,23)16-14(20)9-13(10-15(16)21)6-5-11-1-3-12(4-2-11)7-8-19/h9-12H,1-8H2
InChIKeyQZNMOLACNPEQAT-UHFFFAOYSA-N
MW354.79 g/mol
LogP6.35
Rot. Bonds6

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

2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene (PubChem CID 20654060) has the molecular formula C17H20ClF5 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene
PubChem CID20654060
Molecular FormulaC17H20ClF5
Molecular Weight354.79 g/mol
Exact Mass354.12
IUPAC Name2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene
SMILESFCCC1CCC(CCc2cc(F)c(C(F)(F)Cl)c(F)c2)CC1
InChIInChI=1S/C17H20ClF5/c18-17(22,23)16-14(20)9-13(10-15(16)21)6-5-11-1-3-12(4-2-11)7-8-19/h9-12H,1-8H2
InChIKeyQZNMOLACNPEQAT-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.79
LogP ≤ 56.35
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-[2,6-difluoro-4-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]phenyl]-1,3-difluorobenzene
CID 20653912
2-[chloro(difluoro)methyl]-5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]butyl]-1,3-difluorobenzene
CID 20654101
1,3-difluoro-5-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 19695329
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]butyl]benzene
CID 20654091
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
5-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18656529
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 20653978
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 67589559
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931
1,3-difluoro-5-[2-[4-[4-[(E)-hept-4-enyl]cyclohexyl]cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 67589693
1,3-difluoro-5-[2-(4-oct-4-enylcyclohexyl)ethyl]-2-(trifluoromethyl)benzene
CID 54550243
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene (CID 20654060) is 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene is FCCC1CCC(CCc2cc(F)c(C(F)(F)Cl)c(F)c2)CC1.
What is the InChIKey of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene?
The InChIKey is QZNMOLACNPEQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF5/c18-17(22,23)16-14(20)9-13(10-15(16)21)6-5-11-1-3-12(4-2-11)7-8-19/h9-12H,1-8H2.
What are the key properties of 2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene?
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene has a molecular weight of 354.79 g/mol, XLogP of 6.35, 6 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-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 20654060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).