(3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane

C6H11F3O — CID 162597610

IUPAC(3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane
SMILESCO[C@H](C)C(C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(5(2)10-3)6(7,8)9/h4-5H,1-3H3/t4?,5-/m1/s1
InChIKeyLFSHLMUPFUTGHL-BRJRFNKRSA-N
MW156.15 g/mol
LogP2.22
Rot. Bonds2

About (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane

(3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane (PubChem CID 162597610) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane
PubChem CID162597610
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name(3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane
SMILESCO[C@H](C)C(C)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(5(2)10-3)6(7,8)9/h4-5H,1-3H3/t4?,5-/m1/s1
InChIKeyLFSHLMUPFUTGHL-BRJRFNKRSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-3-methoxy-2-methylbutane
CID 12700782
2-(Difluoromethoxy)propane
CID 14400534
1,1,1,2,4,4,4-Heptafluoro-3-methoxy-2-(trifluoromethyl)butane
CID 21732773
1,1,1-Trifluoro-2-methoxybutane
CID 20625795
1,1,1-Trifluoro-3-methoxy-2-methylpropane
CID 20746379
(4-Fluoro-3-methylbutan-2-yl) hypofluorite
CID 20802300
1,1,1-Trifluoro-2-methoxy-4-methylpentane
CID 23395519
1,1,1-Trifluoro-3-methoxybutane
CID 53948797
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436
1,1,4-Trifluoro-2-methoxybutane
CID 54469512
1,1,4-Trifluoro-3-methoxybutane
CID 54522075
1,3,3-Trifluoro-2-methoxybutane
CID 54540168

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane?
The IUPAC name of (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane (CID 162597610) is (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane.
What is the SMILES notation for (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane?
The canonical SMILES for (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane is CO[C@H](C)C(C)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane?
The InChIKey is LFSHLMUPFUTGHL-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(5(2)10-3)6(7,8)9/h4-5H,1-3H3/t4?,5-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane?
(3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane has a molecular weight of 156.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane is sourced from PubChem (CID 162597610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).