2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate

C23H25F3O2 — CID 59330971

IUPAC2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(OC(=O)C(C)(CC)C(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H25F3O2/c1-5-21(3,23(24,25)26)20(27)28-22(4,6-2)17-11-12-19-16(14-17)13-15-9-7-8-10-18(15)19/h7-12,14H,5-6,13H2,1-4H3
InChIKeyHKXVWXJFOJKFIC-UHFFFAOYSA-N
MW390.45 g/mol
LogP6.40
Rot. Bonds5

About 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate

2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate (PubChem CID 59330971) has the molecular formula C23H25F3O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Name2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
PubChem CID59330971
Molecular FormulaC23H25F3O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
SMILESCCC(C)(OC(=O)C(C)(CC)C(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C23H25F3O2/c1-5-21(3,23(24,25)26)20(27)28-22(4,6-2)17-11-12-19-16(14-17)13-15-9-7-8-10-18(15)19/h7-12,14H,5-6,13H2,1-4H3
InChIKeyHKXVWXJFOJKFIC-UHFFFAOYSA-N
XLogP6.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate (CID 59330971) is 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate is CCC(C)(OC(=O)C(C)(CC)C(F)(F)F)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is HKXVWXJFOJKFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3O2/c1-5-21(3,23(24,25)26)20(27)28-22(4,6-2)17-11-12-19-16(14-17)13-15-9-7-8-10-18(15)19/h7-12,14H,5-6,13H2,1-4H3.
What are the key properties of 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate?
2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 390.45 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-yl)butan-2-yl 2-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 59330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).