(3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine

C8H15F2N — CID 115012836

IUPAC(3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine
SMILESCC(C)C1(CN)CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)7(5-11)3-8(9,10)4-7/h6H,3-5,11H2,1-2H3
InChIKeyUIWXKOUOAMDTMI-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.02
Rot. Bonds2

About (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine

(3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine (PubChem CID 115012836) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine
PubChem CID115012836
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine
SMILESCC(C)C1(CN)CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)7(5-11)3-8(9,10)4-7/h6H,3-5,11H2,1-2H3
InChIKeyUIWXKOUOAMDTMI-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine?
The IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine (CID 115012836) is (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine.
What is the SMILES notation for (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine?
The canonical SMILES for (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine is CC(C)C1(CN)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine?
The InChIKey is UIWXKOUOAMDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)7(5-11)3-8(9,10)4-7/h6H,3-5,11H2,1-2H3.
What are the key properties of (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine?
(3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine has a molecular weight of 163.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-propan-2-ylcyclobutyl)methanamine is sourced from PubChem (CID 115012836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).