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

C10H19F2N — CID 149232930

IUPACN-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-7(2)8(3)13-6-9-4-10(11,12)5-9/h7-9,13H,4-6H2,1-3H3
InChIKeyXKQRPYSYVFZDDD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.67
Rot. Bonds4

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

N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine (PubChem CID 149232930) has the molecular formula C10H19F2N and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine
PubChem CID149232930
Molecular FormulaC10H19F2N
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCC1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-7(2)8(3)13-6-9-4-10(11,12)5-9/h7-9,13H,4-6H2,1-3H3
InChIKeyXKQRPYSYVFZDDD-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.67
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]-3-methylbutan-2-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine (CID 149232930) is N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine is CC(C)C(C)NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine?
The InChIKey is XKQRPYSYVFZDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-7(2)8(3)13-6-9-4-10(11,12)5-9/h7-9,13H,4-6H2,1-3H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine?
N-[(3,3-difluorocyclobutyl)methyl]-3-methylbutan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.67, 4 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]-3-methylbutan-2-amine is sourced from PubChem (CID 149232930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).