1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine

C9H17F2NO — CID 102870149

IUPAC1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
SMILESC=C(C)COCCNC(C)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)6-13-5-4-12-8(3)9(10)11/h8-9,12H,1,4-6H2,2-3H3
InChIKeySUUDDVLYGLATNO-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.82
Rot. Bonds7

About 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine

1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine (PubChem CID 102870149) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
PubChem CID102870149
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
SMILESC=C(C)COCCNC(C)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)6-13-5-4-12-8(3)9(10)11/h8-9,12H,1,4-6H2,2-3H3
InChIKeySUUDDVLYGLATNO-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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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine (CID 102870149) is 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine is C=C(C)COCCNC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine?
The InChIKey is SUUDDVLYGLATNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)6-13-5-4-12-8(3)9(10)11/h8-9,12H,1,4-6H2,2-3H3.
What are the key properties of 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-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 1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine is sourced from PubChem (CID 102870149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).