(2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine

C10H20F3N — CID 160649033

IUPAC(2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)C[C@H](N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-7(2)6-9(10(11,12)13)14(5)8(3)4/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyUOSSJWBTUNQXCU-VIFPVBQESA-N
MW211.27 g/mol
LogP3.30
Rot. Bonds4

About (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine

(2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 160649033) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine
PubChem CID160649033
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name(2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)C[C@H](N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-7(2)6-9(10(11,12)13)14(5)8(3)4/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyUOSSJWBTUNQXCU-VIFPVBQESA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-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 (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine (CID 160649033) is (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine is CC(C)C[C@H](N(C)C(C)C)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is UOSSJWBTUNQXCU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20F3N/c1-7(2)6-9(10(11,12)13)14(5)8(3)4/h7-9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
(2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 160649033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).