(2R)-4,4,4-trifluoro-2-methylbutan-1-amine

C5H10F3N — CID 10290842

IUPAC(2R)-4,4,4-trifluoro-2-methylbutan-1-amine
SMILESC[C@@H](CN)CC(F)(F)F
InChIInChI=1S/C5H10F3N/c1-4(3-9)2-5(6,7)8/h4H,2-3,9H2,1H3/t4-/m1/s1
InChIKeyPIOIYGGPVZPPRE-SCSAIBSYSA-N
MW141.14 g/mol
LogP1.53
Rot. Bonds2

About (2R)-4,4,4-trifluoro-2-methylbutan-1-amine

(2R)-4,4,4-trifluoro-2-methylbutan-1-amine (PubChem CID 10290842) has the molecular formula C5H10F3N and a molecular weight of 141.14 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-methylbutan-1-amine
PubChem CID10290842
Molecular FormulaC5H10F3N
Molecular Weight141.14 g/mol
Exact Mass141.08
IUPAC Name(2R)-4,4,4-trifluoro-2-methylbutan-1-amine
SMILESC[C@@H](CN)CC(F)(F)F
InChIInChI=1S/C5H10F3N/c1-4(3-9)2-5(6,7)8/h4H,2-3,9H2,1H3/t4-/m1/s1
InChIKeyPIOIYGGPVZPPRE-SCSAIBSYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine?
The IUPAC name of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine (CID 10290842) is (2R)-4,4,4-trifluoro-2-methylbutan-1-amine.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-methylbutan-1-amine?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-methylbutan-1-amine is C[C@@H](CN)CC(F)(F)F.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine?
The InChIKey is PIOIYGGPVZPPRE-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10F3N/c1-4(3-9)2-5(6,7)8/h4H,2-3,9H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-methylbutan-1-amine?
(2R)-4,4,4-trifluoro-2-methylbutan-1-amine has a molecular weight of 141.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-methylbutan-1-amine is sourced from PubChem (CID 10290842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).