N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine

C8H15F2NO — CID 106401641

IUPACN-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
SMILESC=CCCOCCNCC(F)F
InChIInChI=1S/C8H15F2NO/c1-2-3-5-12-6-4-11-7-8(9)10/h2,8,11H,1,3-7H2
InChIKeyZXQRHKLAUHAXRS-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.43
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine

N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine (PubChem CID 106401641) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
PubChem CID106401641
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
SMILESC=CCCOCCNCC(F)F
InChIInChI=1S/C8H15F2NO/c1-2-3-5-12-6-4-11-7-8(9)10/h2,8,11H,1,3-7H2
InChIKeyZXQRHKLAUHAXRS-UHFFFAOYSA-N
XLogP1.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.43
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-but-3-enoxyethyl)-2,2-diethoxyethanamine
CID 106401321
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
CID 114184079
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-(2-but-3-enoxyethylamino)-1-(3,4-difluorophenyl)ethanol
CID 106401574
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
N-(2-but-3-enoxyethyl)-2-cyclopropylethanamine
CID 106401449
2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397
(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine
CID 106401566
2-but-3-enoxy-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 103854371

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine (CID 106401641) is N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine is C=CCCOCCNCC(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine?
The InChIKey is ZXQRHKLAUHAXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-3-5-12-6-4-11-7-8(9)10/h2,8,11H,1,3-7H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine?
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 106401641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).