N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine

C10H19F2NO — CID 167130830

IUPACN-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine
SMILESCCCCNC1(COC)CC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-3-4-5-13-9(8-14-2)6-10(11,12)7-9/h13H,3-8H2,1-2H3
InChIKeyXYEYMDVCUQSOBH-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds6

About N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine

N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine (PubChem CID 167130830) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine
PubChem CID167130830
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine
SMILESCCCCNC1(COC)CC(F)(F)C1
InChIInChI=1S/C10H19F2NO/c1-3-4-5-13-9(8-14-2)6-10(11,12)7-9/h13H,3-8H2,1-2H3
InChIKeyXYEYMDVCUQSOBH-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
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 N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine?
The IUPAC name of N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine (CID 167130830) is N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine.
What is the SMILES notation for N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine?
The canonical SMILES for N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine is CCCCNC1(COC)CC(F)(F)C1.
What is the InChIKey of N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine?
The InChIKey is XYEYMDVCUQSOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-3-4-5-13-9(8-14-2)6-10(11,12)7-9/h13H,3-8H2,1-2H3.
What are the key properties of N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine?
N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-difluoro-1-(methoxymethyl)cyclobutan-1-amine is sourced from PubChem (CID 167130830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).