9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene

C18H14F6 — CID 142535810

IUPAC9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene
SMILESCCC1(C)c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H14F6/c1-3-16(2)14-6-4-10(17(19,20)21)8-12(14)13-9-11(18(22,23)24)5-7-15(13)16/h4-9H,3H2,1-2H3
InChIKeyYDPJHBTYYMQPPO-UHFFFAOYSA-N
MW344.30 g/mol
LogP6.42
Rot. Bonds1

About 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene

9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene (PubChem CID 142535810) has the molecular formula C18H14F6 and a molecular weight of 344.30 g/mol. Its IUPAC name is 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene.

Molecular Properties

Compound Name9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene
PubChem CID142535810
Molecular FormulaC18H14F6
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene
SMILESCCC1(C)c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C18H14F6/c1-3-16(2)14-6-4-10(17(19,20)21)8-12(14)13-9-11(18(22,23)24)5-7-15(13)16/h4-9H,3H2,1-2H3
InChIKeyYDPJHBTYYMQPPO-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 144770955
(4R)-2,2,4-trimethyl-7,12-bis(trifluoromethyl)pentacyclo[7.6.1.01,4.05,16.010,15]hexadeca-5,7,9(16),10(15),11,13-hexaene
CID 155096008
8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002165
2-ethyl-2,3-dimethyl-7-(trifluoromethyl)-3,4-dihydro-1H-quinoline
CID 117193878
[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
CID 177136482
7,7-dimethyl-2,10-bis(trifluoromethyl)benzo[c]fluoren-5-ol
CID 88593438
2-ethyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 83949783
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
7-butyl-7-methyl-3-(trifluoromethyl)benzo[c]fluoren-5-ol
CID 159410395
2-(4-ethylsulfanylphenyl)-4-(trifluoromethyl)aniline
CID 69434622
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102752194
6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
CID 59782352

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene?
The IUPAC name of 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene (CID 142535810) is 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene.
What is the SMILES notation for 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene?
The canonical SMILES for 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene is CCC1(C)c2ccc(C(F)(F)F)cc2-c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene?
The InChIKey is YDPJHBTYYMQPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6/c1-3-16(2)14-6-4-10(17(19,20)21)8-12(14)13-9-11(18(22,23)24)5-7-15(13)16/h4-9H,3H2,1-2H3.
What are the key properties of 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene?
9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene has a molecular weight of 344.30 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-methyl-3,6-bis(trifluoromethyl)fluorene is sourced from PubChem (CID 142535810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).