1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane

C10H15F3 — CID 158696217

IUPAC1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane
SMILESC=C(C(C)C)C1(C(F)(F)F)CCC1
InChIInChI=1S/C10H15F3/c1-7(2)8(3)9(5-4-6-9)10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyPJFBUPWLVFQUNZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.93
Rot. Bonds2

About 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane

1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane (PubChem CID 158696217) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane
PubChem CID158696217
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane
SMILESC=C(C(C)C)C1(C(F)(F)F)CCC1
InChIInChI=1S/C10H15F3/c1-7(2)8(3)9(5-4-6-9)10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyPJFBUPWLVFQUNZ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
CID 155710323
1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol
CID 134373340
2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one
CID 129313850
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
CID 126660417
1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
CID 83815694
1-(2-methylpropanoyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
CID 118217440
1-methyl-1-(trifluoromethyl)cyclopentane
CID 45098338
N'-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboximidamide
CID 178191654
1-tert-butyl-1-prop-1-en-2-ylcyclopentane
CID 143093863
1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
1,2,3-trimethyl-1,3-bis(trifluoromethyl)cyclohexane
CID 159041673
1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
CID 107403813

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane (CID 158696217) is 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane is C=C(C(C)C)C1(C(F)(F)F)CCC1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane?
The InChIKey is PJFBUPWLVFQUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-7(2)8(3)9(5-4-6-9)10(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane?
1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane has a molecular weight of 192.22 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-1-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 158696217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).