(2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine

C12H22F3N — CID 166696987

IUPAC(2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)[C@@H](N(CC1CC1)C(C)C)C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-8(2)11(12(13,14)15)16(9(3)4)7-10-5-6-10/h8-11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyHQGRPIWHVJRXEE-LLVKDONJSA-N
MW237.31 g/mol
LogP3.69
Rot. Bonds5

About (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine

(2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 166696987) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine
PubChem CID166696987
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name(2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)[C@@H](N(CC1CC1)C(C)C)C(F)(F)F
InChIInChI=1S/C12H22F3N/c1-8(2)11(12(13,14)15)16(9(3)4)7-10-5-6-10/h8-11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyHQGRPIWHVJRXEE-LLVKDONJSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine (CID 166696987) is (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine is CC(C)[C@@H](N(CC1CC1)C(C)C)C(F)(F)F.
What is the InChIKey of (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is HQGRPIWHVJRXEE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22F3N/c1-8(2)11(12(13,14)15)16(9(3)4)7-10-5-6-10/h8-11H,5-7H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine?
(2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 237.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclopropylmethyl)-1,1,1-trifluoro-3-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 166696987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).