N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine

C9H17F2NO — CID 106397113

IUPACN-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine
SMILESC=CCCOCCNC(C)C(F)F
InChIInChI=1S/C9H17F2NO/c1-3-4-6-13-7-5-12-8(2)9(10)11/h3,8-9,12H,1,4-7H2,2H3
InChIKeyJWSVJPMEUICALM-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.82
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine

N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine (PubChem CID 106397113) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine
PubChem CID106397113
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC NameN-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine
SMILESC=CCCOCCNC(C)C(F)F
InChIInChI=1S/C9H17F2NO/c1-3-4-6-13-7-5-12-8(2)9(10)11/h3,8-9,12H,1,4-7H2,2H3
InChIKeyJWSVJPMEUICALM-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine (CID 106397113) is N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine is C=CCCOCCNC(C)C(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine?
The InChIKey is JWSVJPMEUICALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-4-6-13-7-5-12-8(2)9(10)11/h3,8-9,12H,1,4-7H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine?
N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine has a molecular weight of 193.24 g/mol, XLogP of 1.82, 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)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 106397113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).