2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine

C10H16F5NO — CID 103074933

IUPAC2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5NO/c1-3-4-16-5-8(2)6-17-7-9(11,12)10(13,14)15/h16H,2-7H2,1H3
InChIKeyLJWQPKVPDISAGB-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.76
Rot. Bonds8

About 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine

2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074933) has the molecular formula C10H16F5NO and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074933
Molecular FormulaC10H16F5NO
Molecular Weight261.23 g/mol
Exact Mass261.12
IUPAC Name2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5NO/c1-3-4-16-5-8(2)6-17-7-9(11,12)10(13,14)15/h16H,2-7H2,1H3
InChIKeyLJWQPKVPDISAGB-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.76
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-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

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074343
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074348
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
N-[2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074496
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074501

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine (CID 103074933) is 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is LJWQPKVPDISAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO/c1-3-4-16-5-8(2)6-17-7-9(11,12)10(13,14)15/h16H,2-7H2,1H3.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine?
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 261.23 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).