1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane

C10H17F3 — CID 121274285

IUPAC1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane
SMILESC[C@@H](C1C(C)(C)C1(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-6(10(11,12)13)7-8(2,3)9(7,4)5/h6-7H,1-5H3/t6-/m0/s1
InChIKeyDAJAWIMMPXLWMU-LURJTMIESA-N
MW194.24 g/mol
LogP3.87
Rot. Bonds1

About 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane

1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane (PubChem CID 121274285) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane.

Molecular Properties

Compound Name1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane
PubChem CID121274285
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane
SMILESC[C@@H](C1C(C)(C)C1(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-6(10(11,12)13)7-8(2,3)9(7,4)5/h6-7H,1-5H3/t6-/m0/s1
InChIKeyDAJAWIMMPXLWMU-LURJTMIESA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2,2-tetramethyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273899
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
1-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273893
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
CID 162553460
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273921
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
1-(trifluoromethylamino)ethanol
CID 154201971
ethane;1,1,1-trifluoro-2-methylsulfanylpropane
CID 54001093
1-(2,2-dimethylpropyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273938

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane?
The IUPAC name of 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane (CID 121274285) is 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane.
What is the SMILES notation for 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane?
The canonical SMILES for 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane is C[C@@H](C1C(C)(C)C1(C)C)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane?
The InChIKey is DAJAWIMMPXLWMU-LURJTMIESA-N. The full InChI is InChI=1S/C10H17F3/c1-6(10(11,12)13)7-8(2,3)9(7,4)5/h6-7H,1-5H3/t6-/m0/s1.
What are the key properties of 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane?
1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane has a molecular weight of 194.24 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]cyclopropane is sourced from PubChem (CID 121274285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).