1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine

C9H17F2NO — CID 103148889

IUPAC1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)6-13-4-3-8(12)5-7-1-2-7/h7-9H,1-6,12H2
InChIKeyBWEYETCKJRZZRP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.79
Rot. Bonds7

About 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine

1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine (PubChem CID 103148889) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine
PubChem CID103148889
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)6-13-4-3-8(12)5-7-1-2-7/h7-9H,1-6,12H2
InChIKeyBWEYETCKJRZZRP-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine?
The IUPAC name of 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine (CID 103148889) is 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine?
The canonical SMILES for 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine is NC(CCOCC(F)F)CC1CC1.
What is the InChIKey of 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine?
The InChIKey is BWEYETCKJRZZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)6-13-4-3-8(12)5-7-1-2-7/h7-9H,1-6,12H2.
What are the key properties of 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine?
1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine has a molecular weight of 193.24 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,2-difluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).