4-(trifluoromethyl)hept-6-en-1-amine

C8H14F3N — CID 89153956

IUPAC4-(trifluoromethyl)hept-6-en-1-amine
SMILESC=CCC(CCCN)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-2-4-7(5-3-6-12)8(9,10)11/h2,7H,1,3-6,12H2
InChIKeyBNYYRRSMTXGSJN-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.48
Rot. Bonds5

About 4-(trifluoromethyl)hept-6-en-1-amine

4-(trifluoromethyl)hept-6-en-1-amine (PubChem CID 89153956) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)hept-6-en-1-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)hept-6-en-1-amine
PubChem CID89153956
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name4-(trifluoromethyl)hept-6-en-1-amine
SMILESC=CCC(CCCN)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-2-4-7(5-3-6-12)8(9,10)11/h2,7H,1,3-6,12H2
InChIKeyBNYYRRSMTXGSJN-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 4-(trifluoromethyl)hept-6-en-1-amine?
The IUPAC name of 4-(trifluoromethyl)hept-6-en-1-amine (CID 89153956) is 4-(trifluoromethyl)hept-6-en-1-amine.
What is the SMILES notation for 4-(trifluoromethyl)hept-6-en-1-amine?
The canonical SMILES for 4-(trifluoromethyl)hept-6-en-1-amine is C=CCC(CCCN)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)hept-6-en-1-amine?
The InChIKey is BNYYRRSMTXGSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-2-4-7(5-3-6-12)8(9,10)11/h2,7H,1,3-6,12H2.
What are the key properties of 4-(trifluoromethyl)hept-6-en-1-amine?
4-(trifluoromethyl)hept-6-en-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)hept-6-en-1-amine is sourced from PubChem (CID 89153956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).