1,1,1-trifluoro-N-methyloct-5-en-2-amine

C9H16F3N — CID 123342851

IUPAC1,1,1-trifluoro-N-methyloct-5-en-2-amine
SMILESCCC=CCCC(NC)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-4-5-6-7-8(13-2)9(10,11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyYJPNHROLNDQROI-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds5

About 1,1,1-trifluoro-N-methyloct-5-en-2-amine

1,1,1-trifluoro-N-methyloct-5-en-2-amine (PubChem CID 123342851) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyloct-5-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyloct-5-en-2-amine
PubChem CID123342851
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1,1,1-trifluoro-N-methyloct-5-en-2-amine
SMILESCCC=CCCC(NC)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-3-4-5-6-7-8(13-2)9(10,11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyYJPNHROLNDQROI-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 6435019
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CID 55286801
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CID 25215699
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CID 54176095
CID 54176095
CID 74432311
CID 74432311
CID 88588160
CID 88588160
CID 88588161
CID 88588161
CID 88909552
CID 88909552
CID 88909555
CID 88909555
CID 89198951
CID 89198951
CID 121451126
CID 121451126
CID 121451127
CID 121451127

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyloct-5-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyloct-5-en-2-amine (CID 123342851) is 1,1,1-trifluoro-N-methyloct-5-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyloct-5-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyloct-5-en-2-amine is CCC=CCCC(NC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyloct-5-en-2-amine?
The InChIKey is YJPNHROLNDQROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-4-5-6-7-8(13-2)9(10,11)12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyloct-5-en-2-amine?
1,1,1-trifluoro-N-methyloct-5-en-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyloct-5-en-2-amine is sourced from PubChem (CID 123342851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).