2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H16F3NO — CID 62599036

IUPAC2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESC=CCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-4-5-14-8(2)6-13-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3
InChIKeyBQWNJQFNDAJWTF-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds7

About 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62599036) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62599036
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESC=CCCOC(C)CNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-4-5-14-8(2)6-13-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3
InChIKeyBQWNJQFNDAJWTF-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62566867
2-prop-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570819
N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62597992
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 64314222
N-[2-(2,2,2-trifluoroethoxy)ethyl]pent-4-en-1-amine
CID 64314223
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]prop-2-en-1-amine
CID 66276422
N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66276840
2-but-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 76946772
2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79113167
2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114123
7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine
CID 79599700

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62599036) is 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is C=CCCOC(C)CNCC(F)(F)F.
What is the InChIKey of 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is BQWNJQFNDAJWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-4-5-14-8(2)6-13-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62599036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).