N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C8H14F3NO — CID 61491076

IUPACN-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESC=CCNCCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-4-12-5-3-6-13-7-8(9,10)11/h2,12H,1,3-7H2
InChIKeyQTBZTEJRIKCSEM-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds7

About N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 61491076) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID61491076
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESC=CCNCCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-4-12-5-3-6-13-7-8(9,10)11/h2,12H,1,3-7H2
InChIKeyQTBZTEJRIKCSEM-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.73
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-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 61492468
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62566867
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
CID 62599030
N-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 64314222
N-[2-(2,2-difluoroethoxy)ethyl]prop-2-en-1-amine
CID 82008838
2-(2,2-difluoroethoxy)-N-prop-2-enylpropan-1-amine
CID 82010132
N-[2-(4,4,4-trifluorobutoxy)ethyl]prop-2-en-1-amine
CID 82791521
N-[2-(3,3,3-trifluoropropoxy)ethyl]prop-2-en-1-amine
CID 82957687
N-[2-(2,2-difluoroethoxy)ethyl]but-3-en-1-amine
CID 105910037
(E)-N-[2-(2,2-difluoroethoxy)ethyl]but-2-en-1-amine
CID 105910047
3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]but-2-en-1-amine
CID 106546970
(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine
CID 107898985

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 61491076) is N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is C=CCNCCCOCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is QTBZTEJRIKCSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-4-12-5-3-6-13-7-8(9,10)11/h2,12H,1,3-7H2.
What are the key properties of N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 61491076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).