(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine

C9H16F3N — CID 174025767

IUPAC(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine
SMILESC=CCCC(N)C[C@@H](C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-4-5-8(13)6-7(2)9(10,11)12/h3,7-8H,1,4-6,13H2,2H3/t7-,8?/m1/s1
InChIKeyHWRXCASSSMKMEX-GVHYBUMESA-N
MW195.23 g/mol
LogP2.87
Rot. Bonds5

About (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine

(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine (PubChem CID 174025767) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine
PubChem CID174025767
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine
SMILESC=CCCC(N)C[C@@H](C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-4-5-8(13)6-7(2)9(10,11)12/h3,7-8H,1,4-6,13H2,2H3/t7-,8?/m1/s1
InChIKeyHWRXCASSSMKMEX-GVHYBUMESA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-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)-1,1,1-trifluoro-2-methyloct-7-en-4-amine?
The IUPAC name of (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine (CID 174025767) is (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine is C=CCCC(N)C[C@@H](C)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine?
The InChIKey is HWRXCASSSMKMEX-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-4-5-8(13)6-7(2)9(10,11)12/h3,7-8H,1,4-6,13H2,2H3/t7-,8?/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine?
(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine has a molecular weight of 195.23 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine is sourced from PubChem (CID 174025767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).