2-deuterio-1-fluoro-2,3-dimethylbutane

C6H13F — CID 164822449

IUPAC2-deuterio-1-fluoro-2,3-dimethylbutane
SMILES[2H]C(C)(CF)C(C)C
InChIInChI=1S/C6H13F/c1-5(2)6(3)4-7/h5-6H,4H2,1-3H3/i6D
InChIKeyRQZSTHDLPZGOMA-RAMDWTOOSA-N
MW105.17 g/mol
LogP2.25
Rot. Bonds2

About 2-deuterio-1-fluoro-2,3-dimethylbutane

2-deuterio-1-fluoro-2,3-dimethylbutane (PubChem CID 164822449) has the molecular formula C6H13F and a molecular weight of 105.17 g/mol. Its IUPAC name is 2-deuterio-1-fluoro-2,3-dimethylbutane.

Molecular Properties

Compound Name2-deuterio-1-fluoro-2,3-dimethylbutane
PubChem CID164822449
Molecular FormulaC6H13F
Molecular Weight105.17 g/mol
Exact Mass105.11
IUPAC Name2-deuterio-1-fluoro-2,3-dimethylbutane
SMILES[2H]C(C)(CF)C(C)C
InChIInChI=1S/C6H13F/c1-5(2)6(3)4-7/h5-6H,4H2,1-3H3/i6D
InChIKeyRQZSTHDLPZGOMA-RAMDWTOOSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.17
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-fluoro-2,3-dimethylbutane?
The IUPAC name of 2-deuterio-1-fluoro-2,3-dimethylbutane (CID 164822449) is 2-deuterio-1-fluoro-2,3-dimethylbutane.
What is the SMILES notation for 2-deuterio-1-fluoro-2,3-dimethylbutane?
The canonical SMILES for 2-deuterio-1-fluoro-2,3-dimethylbutane is [2H]C(C)(CF)C(C)C.
What is the InChIKey of 2-deuterio-1-fluoro-2,3-dimethylbutane?
The InChIKey is RQZSTHDLPZGOMA-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H13F/c1-5(2)6(3)4-7/h5-6H,4H2,1-3H3/i6D.
What are the key properties of 2-deuterio-1-fluoro-2,3-dimethylbutane?
2-deuterio-1-fluoro-2,3-dimethylbutane has a molecular weight of 105.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-fluoro-2,3-dimethylbutane is sourced from PubChem (CID 164822449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).