1-butan-2-yl-1-(trifluoromethyl)cyclopropane

C8H13F3 — CID 146393264

IUPAC1-butan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCCC(C)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3/c1-3-6(2)7(4-5-7)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyBTKUSGYGEWIIPF-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.38
Rot. Bonds2

About 1-butan-2-yl-1-(trifluoromethyl)cyclopropane

1-butan-2-yl-1-(trifluoromethyl)cyclopropane (PubChem CID 146393264) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-butan-2-yl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-butan-2-yl-1-(trifluoromethyl)cyclopropane
PubChem CID146393264
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1-butan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCCC(C)C1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3/c1-3-6(2)7(4-5-7)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyBTKUSGYGEWIIPF-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-3,3-difluoro-1-(trifluoromethyl)cyclobutane
CID 146382834
1-butan-2-yl-1-tert-butylcyclopropane
CID 123358420
1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
CID 171746482
1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
CID 126660417
2-iodo-1-[1-(trifluoromethyl)cyclopropyl]ethanol
CID 155043346
1,1-di(butan-2-yl)cycloheptane
CID 91149690
1-[1-(trifluoromethyl)cyclopropyl]propane-1,3-diol
CID 139389456
4-propan-2-yl-4-(trifluoromethyl)cyclopentene
CID 89050504
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79444321
1-butan-2-ylcyclohexane-1-thiol
CID 19850363

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-butan-2-yl-1-(trifluoromethyl)cyclopropane (CID 146393264) is 1-butan-2-yl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-butan-2-yl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-butan-2-yl-1-(trifluoromethyl)cyclopropane is CCC(C)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-butan-2-yl-1-(trifluoromethyl)cyclopropane?
The InChIKey is BTKUSGYGEWIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-3-6(2)7(4-5-7)8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-butan-2-yl-1-(trifluoromethyl)cyclopropane?
1-butan-2-yl-1-(trifluoromethyl)cyclopropane has a molecular weight of 166.19 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 146393264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).