2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane

C26H28F4O — CID 144909610

IUPAC2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane
SMILESCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C4CCC(C)CC4)OC3)c(F)c1F)C2
InChIInChI=1S/C26H28F4O/c1-13-3-5-15(6-4-13)20-8-7-16(12-31-20)19-11-18-10-17-9-14(2)23(27)25(29)21(17)22(18)26(30)24(19)28/h9,11,13,15-16,20H,3-8,10,12H2,1-2H3
InChIKeyDHOCZHAVZZWYEA-UHFFFAOYSA-N
MW432.50 g/mol
LogP7.21
Rot. Bonds2

About 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane

2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane (PubChem CID 144909610) has the molecular formula C26H28F4O and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane
PubChem CID144909610
Molecular FormulaC26H28F4O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane
SMILESCc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C4CCC(C)CC4)OC3)c(F)c1F)C2
InChIInChI=1S/C26H28F4O/c1-13-3-5-15(6-4-13)20-8-7-16(12-31-20)19-11-18-10-17-9-14(2)23(27)25(29)21(17)22(18)26(30)24(19)28/h9,11,13,15-16,20H,3-8,10,12H2,1-2H3
InChIKeyDHOCZHAVZZWYEA-UHFFFAOYSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5,6-tetrafluoro-2-[4-(3-fluoropropyl)cyclohexyl]-7-methyl-9H-fluorene
CID 144909525
5-[7-(3,6-dimethylheptyl)-3,4,5,6-tetrafluoro-9H-fluoren-2-yl]-2-methyloxane
CID 144909486
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
5-(2,3-difluoro-4-methylphenyl)-2-[2-(4-methylcyclohexyl)ethyl]oxane
CID 21337869
2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane
CID 142899993
2-methyl-5-[3,4,5,6-tetrafluoro-7-[3-(2-methylpropoxy)butyl]-9H-fluoren-2-yl]oxane
CID 144909549
3-chloro-2-fluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158163043
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
3-(2,3-difluoro-4-methylphenyl)-6-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583442
2-cyclohexyl-3,4,5,6-tetrafluoro-7-propyl-9H-fluorene
CID 126548736
6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-3-(4-methylcyclohexyl)-3,4-dihydro-2H-pyran
CID 118583470
3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
CID 126591053

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane?
The IUPAC name of 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane (CID 144909610) is 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane.
What is the SMILES notation for 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane?
The canonical SMILES for 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane is Cc1cc2c(c(F)c1F)-c1c(cc(C3CCC(C4CCC(C)CC4)OC3)c(F)c1F)C2.
What is the InChIKey of 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane?
The InChIKey is DHOCZHAVZZWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4O/c1-13-3-5-15(6-4-13)20-8-7-16(12-31-20)19-11-18-10-17-9-14(2)23(27)25(29)21(17)22(18)26(30)24(19)28/h9,11,13,15-16,20H,3-8,10,12H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane?
2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane has a molecular weight of 432.50 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-5-(3,4,5,6-tetrafluoro-7-methyl-9H-fluoren-2-yl)oxane is sourced from PubChem (CID 144909610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).