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

C8H14F3NO — CID 62566867

IUPACN-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESC=CCNCC(C)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-4-12-5-7(2)13-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyPCQCFRYAKFKLAK-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds6

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

N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 62566867) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID62566867
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESC=CCNCC(C)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-4-12-5-7(2)13-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyPCQCFRYAKFKLAK-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 130319502
(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine
CID 137438950
N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491076
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 61492468
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-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
CID 62599030
2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236
N-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 64314222
N-[2-(trifluoromethoxy)ethyl]prop-2-en-1-amine
CID 65806014
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]prop-2-en-1-amine
CID 66276422

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine (CID 62566867) is N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine is C=CCNCC(C)OCC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is PCQCFRYAKFKLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-4-12-5-7(2)13-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3.
What are the key properties of N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine?
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 62566867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).