N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine

C9H15F2N — CID 170967540

IUPACN-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCC2CC2(F)F)CCC1
InChIInChI=1S/C9H15F2N/c1-8(3-2-4-8)12-6-7-5-9(7,10)11/h7,12H,2-6H2,1H3
InChIKeyZQJYCQMRBUTXOD-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.17
Rot. Bonds3

About N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine

N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 170967540) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine
PubChem CID170967540
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine
SMILESCC1(NCC2CC2(F)F)CCC1
InChIInChI=1S/C9H15F2N/c1-8(3-2-4-8)12-6-7-5-9(7,10)11/h7,12H,2-6H2,1H3
InChIKeyZQJYCQMRBUTXOD-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine (CID 170967540) is N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine is CC1(NCC2CC2(F)F)CCC1.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is ZQJYCQMRBUTXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-8(3-2-4-8)12-6-7-5-9(7,10)11/h7,12H,2-6H2,1H3.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine?
N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 170967540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).