(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane

C8H13F3 — CID 174327179

IUPAC(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
SMILESCCC(C)(C1CC1)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-3-7(2,6-4-5-6)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyNRJJKNYUDKRTCL-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.38
Rot. Bonds2

About (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane

(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane (PubChem CID 174327179) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
PubChem CID174327179
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
SMILESCCC(C)(C1CC1)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-3-7(2,6-4-5-6)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyNRJJKNYUDKRTCL-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

(2S)-2-cyclopropylbutan-2-amine
CID 93299299
3-cyclopropyl-3-fluoro-2-methylbutan-1-amine
CID 105428835
3-ethylpentan-3-ylcyclopropane
CID 91066295
2-fluoro-2-(4-methylcyclohexyl)butan-1-amine
CID 112565905
2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol
CID 70644379
3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol
CID 165457814
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
2-methyl-2-(trifluoromethyl)butane-1,1-diol
CID 162587850
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
CID 84772014
4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine
CID 21297473
1-methyl-4-(trifluoromethyl)cyclohexane;propane
CID 162029179
2-cyclopentylbutan-2-amine
CID 43810238

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
The IUPAC name of (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane (CID 174327179) is (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane.
What is the SMILES notation for (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
The canonical SMILES for (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane is CCC(C)(C1CC1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
The InChIKey is NRJJKNYUDKRTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-3-7(2,6-4-5-6)8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
(1,1,1-trifluoro-2-methylbutan-2-yl)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 (1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane is sourced from PubChem (CID 174327179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).