N-(trifluoromethyl)but-3-en-1-amine

C5H8F3N — CID 175037920

IUPACN-(trifluoromethyl)but-3-en-1-amine
SMILESC=CCCNC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4-9-5(6,7)8/h2,9H,1,3-4H2
InChIKeyBDNUJJWZSRVYFP-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds3

About N-(trifluoromethyl)but-3-en-1-amine

N-(trifluoromethyl)but-3-en-1-amine (PubChem CID 175037920) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is N-(trifluoromethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)but-3-en-1-amine
PubChem CID175037920
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC NameN-(trifluoromethyl)but-3-en-1-amine
SMILESC=CCCNC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4-9-5(6,7)8/h2,9H,1,3-4H2
InChIKeyBDNUJJWZSRVYFP-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)but-3-en-1-amine?
The IUPAC name of N-(trifluoromethyl)but-3-en-1-amine (CID 175037920) is N-(trifluoromethyl)but-3-en-1-amine.
What is the SMILES notation for N-(trifluoromethyl)but-3-en-1-amine?
The canonical SMILES for N-(trifluoromethyl)but-3-en-1-amine is C=CCCNC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)but-3-en-1-amine?
The InChIKey is BDNUJJWZSRVYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-3-4-9-5(6,7)8/h2,9H,1,3-4H2.
What are the key properties of N-(trifluoromethyl)but-3-en-1-amine?
N-(trifluoromethyl)but-3-en-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)but-3-en-1-amine is sourced from PubChem (CID 175037920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).