3,4,4,4-tetrafluoro-2-methylbutan-1-amine

C5H9F4N — CID 105431121

IUPAC3,4,4,4-tetrafluoro-2-methylbutan-1-amine
SMILESCC(CN)C(F)C(F)(F)F
InChIInChI=1S/C5H9F4N/c1-3(2-10)4(6)5(7,8)9/h3-4H,2,10H2,1H3
InChIKeyQQANKXFSYVFASW-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.48
Rot. Bonds2

About 3,4,4,4-tetrafluoro-2-methylbutan-1-amine

3,4,4,4-tetrafluoro-2-methylbutan-1-amine (PubChem CID 105431121) has the molecular formula C5H9F4N and a molecular weight of 159.13 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-2-methylbutan-1-amine
PubChem CID105431121
Molecular FormulaC5H9F4N
Molecular Weight159.13 g/mol
Exact Mass159.07
IUPAC Name3,4,4,4-tetrafluoro-2-methylbutan-1-amine
SMILESCC(CN)C(F)C(F)(F)F
InChIInChI=1S/C5H9F4N/c1-3(2-10)4(6)5(7,8)9/h3-4H,2,10H2,1H3
InChIKeyQQANKXFSYVFASW-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-2-methylbutan-1-amine?
The IUPAC name of 3,4,4,4-tetrafluoro-2-methylbutan-1-amine (CID 105431121) is 3,4,4,4-tetrafluoro-2-methylbutan-1-amine.
What is the SMILES notation for 3,4,4,4-tetrafluoro-2-methylbutan-1-amine?
The canonical SMILES for 3,4,4,4-tetrafluoro-2-methylbutan-1-amine is CC(CN)C(F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-2-methylbutan-1-amine?
The InChIKey is QQANKXFSYVFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4N/c1-3(2-10)4(6)5(7,8)9/h3-4H,2,10H2,1H3.
What are the key properties of 3,4,4,4-tetrafluoro-2-methylbutan-1-amine?
3,4,4,4-tetrafluoro-2-methylbutan-1-amine has a molecular weight of 159.13 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-2-methylbutan-1-amine is sourced from PubChem (CID 105431121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).