(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol

C9H17F3O2 — CID 59287980

IUPAC(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESC[C@H](CO)[C@@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-6(5-13)7(9(10,11)12)14-8(2,3)4/h6-7,13H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyHRUCOABIRFCXFY-RNFRBKRXSA-N
MW214.23 g/mol
LogP2.36
Rot. Bonds3

About (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol

(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol (PubChem CID 59287980) has the molecular formula C9H17F3O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol.

Molecular Properties

Compound Name(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
PubChem CID59287980
Molecular FormulaC9H17F3O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESC[C@H](CO)[C@@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-6(5-13)7(9(10,11)12)14-8(2,3)4/h6-7,13H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyHRUCOABIRFCXFY-RNFRBKRXSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The IUPAC name of (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol (CID 59287980) is (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol.
What is the SMILES notation for (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The canonical SMILES for (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol is C[C@H](CO)[C@@H](OC(C)(C)C)C(F)(F)F.
What is the InChIKey of (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The InChIKey is HRUCOABIRFCXFY-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H17F3O2/c1-6(5-13)7(9(10,11)12)14-8(2,3)4/h6-7,13H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol has a molecular weight of 214.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol is sourced from PubChem (CID 59287980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).