3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine

C10H19F2N — CID 178026396

IUPAC3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine
SMILESCC(C)CCN(C)C1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-8(2)4-5-13(3)9-6-10(11,12)7-9/h8-9H,4-7H2,1-3H3
InChIKeyIJVDIHWJHHFTJF-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds4

About 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine

3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine (PubChem CID 178026396) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine
PubChem CID178026396
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine
SMILESCC(C)CCN(C)C1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-8(2)4-5-13(3)9-6-10(11,12)7-9/h8-9H,4-7H2,1-3H3
InChIKeyIJVDIHWJHHFTJF-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine (CID 178026396) is 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine is CC(C)CCN(C)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine?
The InChIKey is IJVDIHWJHHFTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)4-5-13(3)9-6-10(11,12)7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine?
3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-N-(3-methylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 178026396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).