N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine

C8H15F2N — CID 121208180

IUPACN-[(3,3-difluorocyclobutyl)methyl]propan-2-amine
SMILESCC(C)NCC1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)11-5-7-3-8(9,10)4-7/h6-7,11H,3-5H2,1-2H3
InChIKeyLNOAKUGZFHQZHX-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine

N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine (PubChem CID 121208180) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]propan-2-amine
PubChem CID121208180
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]propan-2-amine
SMILESCC(C)NCC1CC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-6(2)11-5-7-3-8(9,10)4-7/h6-7,11H,3-5H2,1-2H3
InChIKeyLNOAKUGZFHQZHX-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine (CID 121208180) is N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine is CC(C)NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine?
The InChIKey is LNOAKUGZFHQZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)11-5-7-3-8(9,10)4-7/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine?
N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 121208180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).