4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene

C17H25F — CID 156857558

IUPAC4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene
SMILESCCc1c(F)c2c(c(C(C)(C)C)c1CC)CCC2
InChIInChI=1S/C17H25F/c1-6-11-12(7-2)16(18)14-10-8-9-13(14)15(11)17(3,4)5/h6-10H2,1-5H3
InChIKeyXJWXZRIPNBMMJC-UHFFFAOYSA-N
MW248.38 g/mol
LogP4.74
Rot. Bonds2

About 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene

4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene (PubChem CID 156857558) has the molecular formula C17H25F and a molecular weight of 248.38 g/mol. Its IUPAC name is 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene
PubChem CID156857558
Molecular FormulaC17H25F
Molecular Weight248.38 g/mol
Exact Mass248.19
IUPAC Name4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene
SMILESCCc1c(F)c2c(c(C(C)(C)C)c1CC)CCC2
InChIInChI=1S/C17H25F/c1-6-11-12(7-2)16(18)14-10-8-9-13(14)15(11)17(3,4)5/h6-10H2,1-5H3
InChIKeyXJWXZRIPNBMMJC-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-tert-butyl-8-[2-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropyl]-1,2,3,5,6,7-hexahydro-s-indacene
CID 167303708
4-chloro-8-ethyl-1,2,3,5,6,7-hexahydro-s-indacene
CID 155578127
4-tert-butyl-5-ethyl-6-methyl-2,3-dihydro-1H-indazole
CID 177150101
[15,23,31-tris(aminomethyl)-6,8,14,16,22,24,30,32,33,34,35,36-dodecaethyl-7-pentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21,23,25(34),29,31-dodecaenyl]methanamine
CID 101010560
1-tert-butyl-2,3,5,6-tetrafluoro-4-(3-methylpentan-3-yl)benzene
CID 88879117
1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
CID 169121749
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene
CID 142235418
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane
CID 142235417
1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
CID 177164179
8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 154027020
3-[(4-tert-butyl-2,3,5,6-tetrafluorophenyl)methyl]-3-methyloxetane
CID 139482953
1,4-diethyl-2,3,5,6-tetrafluorobenzene;1-ethyl-4-(4-ethyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
CID 162052100

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene (CID 156857558) is 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene is CCc1c(F)c2c(c(C(C)(C)C)c1CC)CCC2.
What is the InChIKey of 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene?
The InChIKey is XJWXZRIPNBMMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F/c1-6-11-12(7-2)16(18)14-10-8-9-13(14)15(11)17(3,4)5/h6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene?
4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene has a molecular weight of 248.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,6-diethyl-7-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 156857558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).