1-methoxy-1-(trifluoromethyl)cyclobutane

C6H9F3O — CID 66584595

IUPAC1-methoxy-1-(trifluoromethyl)cyclobutane
SMILESCOC1(C(F)(F)F)CCC1
InChIInChI=1S/C6H9F3O/c1-10-5(3-2-4-5)6(7,8)9/h2-4H2,1H3
InChIKeySSTNZDXTDJHRRM-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.12
Rot. Bonds1

About 1-methoxy-1-(trifluoromethyl)cyclobutane

1-methoxy-1-(trifluoromethyl)cyclobutane (PubChem CID 66584595) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1-methoxy-1-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-methoxy-1-(trifluoromethyl)cyclobutane
PubChem CID66584595
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1-methoxy-1-(trifluoromethyl)cyclobutane
SMILESCOC1(C(F)(F)F)CCC1
InChIInChI=1S/C6H9F3O/c1-10-5(3-2-4-5)6(7,8)9/h2-4H2,1H3
InChIKeySSTNZDXTDJHRRM-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[Difluoro(methoxy)methyl]cyclobutane
CID 18725578
1,1-Difluoro-2-methoxy-4-methylcyclobutane
CID 57565717
1,1,2,2,3,4-Hexafluoro-3-methoxy-4-methylcyclobutane
CID 59710679
1,1,1-Trifluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 59734874
1,1,1-Trifluoro-2-methoxy-2-methylpentane
CID 88864764
(2R)-1,1,1-trifluoro-2-methoxy-2-methylpentane
CID 89116872
3-Methoxy-3-(trifluoromethyl)pentane
CID 89347830
1,1,1-Trifluoro-4-methoxy-4-methylpentane
CID 89465990
2,2-Difluoro-4-methoxy-4-methylpentane
CID 90221973
2-(Difluoromethyl)-1,1,1-trifluoro-2-methoxypentane
CID 90243214
1-Methyl-3-(trifluoromethoxy)cyclobutane
CID 122534053
1-(Difluoromethyl)-3-methoxycyclobutane
CID 132185340

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(trifluoromethyl)cyclobutane?
The IUPAC name of 1-methoxy-1-(trifluoromethyl)cyclobutane (CID 66584595) is 1-methoxy-1-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1-methoxy-1-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1-methoxy-1-(trifluoromethyl)cyclobutane is COC1(C(F)(F)F)CCC1.
What is the InChIKey of 1-methoxy-1-(trifluoromethyl)cyclobutane?
The InChIKey is SSTNZDXTDJHRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-10-5(3-2-4-5)6(7,8)9/h2-4H2,1H3.
What are the key properties of 1-methoxy-1-(trifluoromethyl)cyclobutane?
1-methoxy-1-(trifluoromethyl)cyclobutane has a molecular weight of 154.13 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 66584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).