fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene

C29H42F2 — CID 90971028

IUPACfluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
SMILESCC1CCC(Cc2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1.CF.CF
InChIInChI=1S/C27H36.2CH3F/c1-20-3-7-22(8-4-20)19-23-9-13-25(14-10-23)27-17-15-26(16-18-27)24-11-5-21(2)6-12-24;2*1-2/h9-10,13-18,20-22,24H,3-8,11-12,19H2,1-2H3;2*1H3
InChIKeyURCORFLRMYHWHP-UHFFFAOYSA-N
MW428.65 g/mol
LogP9.19
Rot. Bonds4

About fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene

fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene (PubChem CID 90971028) has the molecular formula C29H42F2 and a molecular weight of 428.65 g/mol. Its IUPAC name is fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene.

Molecular Properties

Compound Namefluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
PubChem CID90971028
Molecular FormulaC29H42F2
Molecular Weight428.65 g/mol
Exact Mass428.33
IUPAC Namefluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene
SMILESCC1CCC(Cc2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1.CF.CF
InChIInChI=1S/C27H36.2CH3F/c1-20-3-7-22(8-4-20)19-23-9-13-25(14-10-23)27-17-15-26(16-18-27)24-11-5-21(2)6-12-24;2*1-2/h9-10,13-18,20-22,24H,3-8,11-12,19H2,1-2H3;2*1H3
InChIKeyURCORFLRMYHWHP-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.65
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
CID 166651083
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene?
The IUPAC name of fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene (CID 90971028) is fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene.
What is the SMILES notation for fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene?
The canonical SMILES for fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene is CC1CCC(Cc2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1.CF.CF.
What is the InChIKey of fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene?
The InChIKey is URCORFLRMYHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36.2CH3F/c1-20-3-7-22(8-4-20)19-23-9-13-25(14-10-23)27-17-15-26(16-18-27)24-11-5-21(2)6-12-24;2*1-2/h9-10,13-18,20-22,24H,3-8,11-12,19H2,1-2H3;2*1H3.
What are the key properties of fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene?
fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene has a molecular weight of 428.65 g/mol, XLogP of 9.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-(4-methylcyclohexyl)-4-[4-[(4-methylcyclohexyl)methyl]phenyl]benzene is sourced from PubChem (CID 90971028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).