2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine

C9H17F2NO — CID 91089788

IUPAC2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCC=CC(C)(F)F
InChIInChI=1S/C9H17F2NO/c1-8(7-12-3)13-6-4-5-9(2,10)11/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCPVPNTVEKJYGIT-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.82
Rot. Bonds6

About 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine

2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine (PubChem CID 91089788) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine
PubChem CID91089788
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine
SMILESCNCC(C)OCC=CC(C)(F)F
InChIInChI=1S/C9H17F2NO/c1-8(7-12-3)13-6-4-5-9(2,10)11/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCPVPNTVEKJYGIT-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(E)-4,4-difluoro-5-methylhex-2-enoxy]-2-methylpropan-1-amine
CID 88973540
2-(4,4-difluoropent-2-enoxy)-N,2-dimethylpropan-1-amine
CID 91459142
N-tert-butyl-2-(4,4-difluoro-5-methylhex-2-enoxy)-2-methylpropan-1-amine
CID 123891794
N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
CID 139410249
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
2-prop-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570819
2-but-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 76946772
(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pent-3-en-1-amine
CID 116034155
(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
CID 145312229
2-[(E)-4,4-difluoropent-2-enoxy]-N,2-dimethylpropan-1-amine
CID 149092451
N-methyl-1-[6-(trifluoromethyl)-2H-pyran-2-yl]methanamine
CID 162548456
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine (CID 91089788) is 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine is CNCC(C)OCC=CC(C)(F)F.
What is the InChIKey of 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine?
The InChIKey is CPVPNTVEKJYGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(7-12-3)13-6-4-5-9(2,10)11/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine?
2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 91089788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).