CID 59940195

C20H22F — CID 59940195

IUPAC—
SMILESC[C]1CCC(c2ccc(-c3ccc(C)c(F)c3)cc2)CC1
InChIInChI=1S/C20H22F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h5,8-13,16H,3-4,6-7H2,1-2H3
InChIKeyJQQRALQRAHCXSN-UHFFFAOYSA-N
MW281.39 g/mol
LogP6.05
Rot. Bonds2

About CID 59940195

CID 59940195 (PubChem CID 59940195) has the molecular formula C20H22F and a molecular weight of 281.39 g/mol.

Molecular Properties

Compound NameCID 59940195
PubChem CID59940195
Molecular FormulaC20H22F
Molecular Weight281.39 g/mol
Exact Mass281.17
IUPAC Name—
SMILESC[C]1CCC(c2ccc(-c3ccc(C)c(F)c3)cc2)CC1
InChIInChI=1S/C20H22F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h5,8-13,16H,3-4,6-7H2,1-2H3
InChIKeyJQQRALQRAHCXSN-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.39
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 59940150
CID 59940150
CID 59076916
CID 59076916
2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene
CID 170287642
CID 59940181
CID 59940181
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
CID 59076923
CID 59076923
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
CID 19601961
CID 19601961
2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;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 157199372
CID 59940166
CID 59940166
1,3-difluoro-2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;ethane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;[2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phosphane
CID 143239765

Frequently Asked Questions

What is the IUPAC name of CID 59940195?
The IUPAC name of CID 59940195 (CID 59940195) is not available.
What is the SMILES notation for CID 59940195?
The canonical SMILES for CID 59940195 is C[C]1CCC(c2ccc(-c3ccc(C)c(F)c3)cc2)CC1.
What is the InChIKey of CID 59940195?
The InChIKey is JQQRALQRAHCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h5,8-13,16H,3-4,6-7H2,1-2H3.
What are the key properties of CID 59940195?
CID 59940195 has a molecular weight of 281.39 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59940195 is sourced from PubChem (CID 59940195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).