1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine

C24H45F5N2 — CID 66615395

IUPAC1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine
SMILESCCC(C)(CC(C)(CC)C(C)(CC)C(F)(F)C(C)(CC)C(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/C24H45F5N2/c1-10-19(5,18-20(6,11-2)31-16-14-30(9)15-17-31)21(7,12-3)23(25,26)22(8,13-4)24(27,28)29/h10-18H2,1-9H3
InChIKeyZWFUJXUZSCNETF-UHFFFAOYSA-N
MW456.63 g/mol
LogP7.24
Rot. Bonds10

About 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine

1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine (PubChem CID 66615395) has the molecular formula C24H45F5N2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine
PubChem CID66615395
Molecular FormulaC24H45F5N2
Molecular Weight456.63 g/mol
Exact Mass456.35
IUPAC Name1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine
SMILESCCC(C)(CC(C)(CC)C(C)(CC)C(F)(F)C(C)(CC)C(F)(F)F)N1CCN(C)CC1
InChIInChI=1S/C24H45F5N2/c1-10-19(5,18-20(6,11-2)31-16-14-30(9)15-17-31)21(7,12-3)23(25,26)22(8,13-4)24(27,28)29/h10-18H2,1-9H3
InChIKeyZWFUJXUZSCNETF-UHFFFAOYSA-N
XLogP7.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine (CID 66615395) is 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine is CCC(C)(CC(C)(CC)C(C)(CC)C(F)(F)C(C)(CC)C(F)(F)F)N1CCN(C)CC1.
What is the InChIKey of 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine?
The InChIKey is ZWFUJXUZSCNETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45F5N2/c1-10-19(5,18-20(6,11-2)31-16-14-30(9)15-17-31)21(7,12-3)23(25,26)22(8,13-4)24(27,28)29/h10-18H2,1-9H3.
What are the key properties of 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine?
1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine has a molecular weight of 456.63 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-diethyl-7,7-difluoro-3,5,6,8-tetramethyl-8-(trifluoromethyl)decan-3-yl]-4-methylpiperazine is sourced from PubChem (CID 66615395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).