5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine

C9H17F2NO — CID 103149222

IUPAC5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine
SMILESC=C(C)C(CCOCC(F)F)NC
InChIInChI=1S/C9H17F2NO/c1-7(2)8(12-3)4-5-13-6-9(10)11/h8-9,12H,1,4-6H2,2-3H3
InChIKeyWXXWYNPLYJRNTF-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.82
Rot. Bonds7

About 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine

5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine (PubChem CID 103149222) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine
PubChem CID103149222
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine
SMILESC=C(C)C(CCOCC(F)F)NC
InChIInChI=1S/C9H17F2NO/c1-7(2)8(12-3)4-5-13-6-9(10)11/h8-9,12H,1,4-6H2,2-3H3
InChIKeyWXXWYNPLYJRNTF-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148016
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148280
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148339
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148352
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148484
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine (CID 103149222) is 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine is C=C(C)C(CCOCC(F)F)NC.
What is the InChIKey of 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine?
The InChIKey is WXXWYNPLYJRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)8(12-3)4-5-13-6-9(10)11/h8-9,12H,1,4-6H2,2-3H3.
What are the key properties of 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine?
5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine has a molecular weight of 193.24 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine is sourced from PubChem (CID 103149222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).