(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane

C9H17F3O — CID 168729792

IUPAC(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
SMILESC[C@H](O[C@H](C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-6(8(3,4)5)13-7(2)9(10,11)12/h6-7H,1-5H3/t6-,7+/m1/s1
InChIKeyKYSTYGARFBBKGJ-RQJHMYQMSA-N
MW198.23 g/mol
LogP3.39
Rot. Bonds2

About (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane

(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane (PubChem CID 168729792) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane.

Molecular Properties

Compound Name(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
PubChem CID168729792
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane
SMILESC[C@H](O[C@H](C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-6(8(3,4)5)13-7(2)9(10,11)12/h6-7H,1-5H3/t6-,7+/m1/s1
InChIKeyKYSTYGARFBBKGJ-RQJHMYQMSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549
3-[2,2-dimethyl-1-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylbutane
CID 121371563
2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]propan-2-amine
CID 66275746
2,2-dimethyl-3-[1-[(2-methylpropan-2-yl)oxy]ethoxy]butane
CID 134572813
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane
CID 141059311
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane
CID 114774571
2-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66274618
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
[(2R)-1,1,1-trifluoropropan-2-yl] formate
CID 87244754

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane?
The IUPAC name of (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane (CID 168729792) is (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane.
What is the SMILES notation for (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane?
The canonical SMILES for (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane is C[C@H](O[C@H](C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane?
The InChIKey is KYSTYGARFBBKGJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H17F3O/c1-6(8(3,4)5)13-7(2)9(10,11)12/h6-7H,1-5H3/t6-,7+/m1/s1.
What are the key properties of (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane?
(3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane has a molecular weight of 198.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dimethyl-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxybutane is sourced from PubChem (CID 168729792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).