(2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine

C8H14F3N — CID 177319524

IUPAC(2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
SMILESC=CC[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-5-7(2)12(3)6-8(9,10)11/h4,7H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyUUGBLGJNACLPNN-SSDOTTSWSA-N
MW181.20 g/mol
LogP2.45
Rot. Bonds4

About (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine

(2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine (PubChem CID 177319524) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
PubChem CID177319524
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
SMILESC=CC[C@@H](C)N(C)CC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-4-5-7(2)12(3)6-8(9,10)11/h4,7H,1,5-6H2,2-3H3/t7-/m1/s1
InChIKeyUUGBLGJNACLPNN-SSDOTTSWSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
The IUPAC name of (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine (CID 177319524) is (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine.
What is the SMILES notation for (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
The canonical SMILES for (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine is C=CC[C@@H](C)N(C)CC(F)(F)F.
What is the InChIKey of (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
The InChIKey is UUGBLGJNACLPNN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F3N/c1-4-5-7(2)12(3)6-8(9,10)11/h4,7H,1,5-6H2,2-3H3/t7-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine?
(2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine is sourced from PubChem (CID 177319524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).