2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen

C19H20ClF3 — CID 157087004

IUPAC2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
SMILESCC1CCC(c2ccc(-c3cc(F)c(Cl)c(F)c3)c(F)c2)CC1.[H][H]
InChIInChI=1S/C19H18ClF3.H2/c1-11-2-4-12(5-3-11)13-6-7-15(16(21)8-13)14-9-17(22)19(20)18(23)10-14;/h6-12H,2-5H2,1H3;1H
InChIKeyAEEZAJZQHWAIFZ-UHFFFAOYSA-N
MW340.82 g/mol
LogP6.96
Rot. Bonds2

About 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen

2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen (PubChem CID 157087004) has the molecular formula C19H20ClF3 and a molecular weight of 340.82 g/mol. Its IUPAC name is 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen.

Molecular Properties

Compound Name2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
PubChem CID157087004
Molecular FormulaC19H20ClF3
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC Name2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
SMILESCC1CCC(c2ccc(-c3cc(F)c(Cl)c(F)c3)c(F)c2)CC1.[H][H]
InChIInChI=1S/C19H18ClF3.H2/c1-11-2-4-12(5-3-11)13-6-7-15(16(21)8-13)14-9-17(22)19(20)18(23)10-14;/h6-12H,2-5H2,1H3;1H
InChIKeyAEEZAJZQHWAIFZ-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.82
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383566
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 162555866
2-fluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]thiophene
CID 153380811
8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 58660633
1,2-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]naphthalene
CID 122609106
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-ol
CID 141391242
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-thiol
CID 134374972
5-fluoro-3-(2-fluoroethyl)-7-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-1H-isochromene
CID 58660412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen?
The IUPAC name of 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen (CID 157087004) is 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen.
What is the SMILES notation for 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen?
The canonical SMILES for 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen is CC1CCC(c2ccc(-c3cc(F)c(Cl)c(F)c3)c(F)c2)CC1.[H][H].
What is the InChIKey of 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen?
The InChIKey is AEEZAJZQHWAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3.H2/c1-11-2-4-12(5-3-11)13-6-7-15(16(21)8-13)14-9-17(22)19(20)18(23)10-14;/h6-12H,2-5H2,1H3;1H.
What are the key properties of 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen?
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen has a molecular weight of 340.82 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen is sourced from PubChem (CID 157087004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).