4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one

C9H10F6GeO2 — CID 16697580

IUPAC4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one
SMILESC[Ge](C)(C)OC1=CC(=O)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6GeO2/c1-16(2,3)18-6-4-5(17)7(6,8(10,11)12)9(13,14)15/h4H,1-3H3
InChIKeyQQXAUZUQFFBLNM-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.42
Rot. Bonds2

About 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one

4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one (PubChem CID 16697580) has the molecular formula C9H10F6GeO2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one
PubChem CID16697580
Molecular FormulaC9H10F6GeO2
Molecular Weight336.78 g/mol
Exact Mass337.98
IUPAC Name4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one
SMILESC[Ge](C)(C)OC1=CC(=O)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6GeO2/c1-16(2,3)18-6-4-5(17)7(6,8(10,11)12)9(13,14)15/h4H,1-3H3
InChIKeyQQXAUZUQFFBLNM-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one?
The IUPAC name of 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one (CID 16697580) is 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one.
What is the SMILES notation for 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one?
The canonical SMILES for 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one is C[Ge](C)(C)OC1=CC(=O)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one?
The InChIKey is QQXAUZUQFFBLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6GeO2/c1-16(2,3)18-6-4-5(17)7(6,8(10,11)12)9(13,14)15/h4H,1-3H3.
What are the key properties of 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one?
4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one has a molecular weight of 336.78 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(trifluoromethyl)-3-trimethylgermyloxycyclobut-2-en-1-one is sourced from PubChem (CID 16697580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).