(3S)-2-methyl-3-(trifluoromethoxy)butane

C6H11F3O — CID 148618056

IUPAC(3S)-2-methyl-3-(trifluoromethoxy)butane
SMILESCC(C)[C@H](C)OC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(3)10-6(7,8)9/h4-5H,1-3H3/t5-/m0/s1
InChIKeyNFRUVVMXTOHSGK-YFKPBYRVSA-N
MW156.15 g/mol
LogP2.57
Rot. Bonds2

About (3S)-2-methyl-3-(trifluoromethoxy)butane

(3S)-2-methyl-3-(trifluoromethoxy)butane (PubChem CID 148618056) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is (3S)-2-methyl-3-(trifluoromethoxy)butane.

Molecular Properties

Compound Name(3S)-2-methyl-3-(trifluoromethoxy)butane
PubChem CID148618056
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name(3S)-2-methyl-3-(trifluoromethoxy)butane
SMILESCC(C)[C@H](C)OC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(3)10-6(7,8)9/h4-5H,1-3H3/t5-/m0/s1
InChIKeyNFRUVVMXTOHSGK-YFKPBYRVSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(trifluoromethoxy)butane?
The IUPAC name of (3S)-2-methyl-3-(trifluoromethoxy)butane (CID 148618056) is (3S)-2-methyl-3-(trifluoromethoxy)butane.
What is the SMILES notation for (3S)-2-methyl-3-(trifluoromethoxy)butane?
The canonical SMILES for (3S)-2-methyl-3-(trifluoromethoxy)butane is CC(C)[C@H](C)OC(F)(F)F.
What is the InChIKey of (3S)-2-methyl-3-(trifluoromethoxy)butane?
The InChIKey is NFRUVVMXTOHSGK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(2)5(3)10-6(7,8)9/h4-5H,1-3H3/t5-/m0/s1.
What are the key properties of (3S)-2-methyl-3-(trifluoromethoxy)butane?
(3S)-2-methyl-3-(trifluoromethoxy)butane has a molecular weight of 156.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-(trifluoromethoxy)butane is sourced from PubChem (CID 148618056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).