N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine

C10H17F2N — CID 130635025

IUPACN-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2CC(F)(F)C2)C1
InChIInChI=1S/C10H17F2N/c1-7-2-9(3-7)13-6-8-4-10(11,12)5-8/h7-9,13H,2-6H2,1H3
InChIKeyMIOWEEKPPMUUIT-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.42
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine

N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 130635025) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID130635025
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2CC(F)(F)C2)C1
InChIInChI=1S/C10H17F2N/c1-7-2-9(3-7)13-6-8-4-10(11,12)5-8/h7-9,13H,2-6H2,1H3
InChIKeyMIOWEEKPPMUUIT-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.42
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-methylcyclobutan-1-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine (CID 130635025) is N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCC2CC(F)(F)C2)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is MIOWEEKPPMUUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7-2-9(3-7)13-6-8-4-10(11,12)5-8/h7-9,13H,2-6H2,1H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine?
N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.42, 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]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 130635025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).