(1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane

C13H23F3O — CID 134219701

IUPAC(1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane
SMILESCC1C[C@@]1(C)[C@@H](C)COC(C)(C)CC(F)(F)F
InChIInChI=1S/C13H23F3O/c1-9-6-12(9,5)10(2)7-17-11(3,4)8-13(14,15)16/h9-10H,6-8H2,1-5H3/t9?,10-,12+/m0/s1
InChIKeyTVFRKZDOCUQBQV-OJBNZGHXSA-N
MW252.32 g/mol
LogP4.42
Rot. Bonds5

About (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane

(1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane (PubChem CID 134219701) has the molecular formula C13H23F3O and a molecular weight of 252.32 g/mol. Its IUPAC name is (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane.

Molecular Properties

Compound Name(1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane
PubChem CID134219701
Molecular FormulaC13H23F3O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name(1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane
SMILESCC1C[C@@]1(C)[C@@H](C)COC(C)(C)CC(F)(F)F
InChIInChI=1S/C13H23F3O/c1-9-6-12(9,5)10(2)7-17-11(3,4)8-13(14,15)16/h9-10H,6-8H2,1-5H3/t9?,10-,12+/m0/s1
InChIKeyTVFRKZDOCUQBQV-OJBNZGHXSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane?
The IUPAC name of (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane (CID 134219701) is (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane.
What is the SMILES notation for (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane?
The canonical SMILES for (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane is CC1C[C@@]1(C)[C@@H](C)COC(C)(C)CC(F)(F)F.
What is the InChIKey of (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane?
The InChIKey is TVFRKZDOCUQBQV-OJBNZGHXSA-N. The full InChI is InChI=1S/C13H23F3O/c1-9-6-12(9,5)10(2)7-17-11(3,4)8-13(14,15)16/h9-10H,6-8H2,1-5H3/t9?,10-,12+/m0/s1.
What are the key properties of (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane?
(1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane has a molecular weight of 252.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-dimethyl-1-[(2R)-1-(4,4,4-trifluoro-2-methylbutan-2-yl)oxypropan-2-yl]cyclopropane is sourced from PubChem (CID 134219701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).