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

C9H17F2N — CID 130477526

IUPACN-[(3,3-difluorocyclopentyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC(F)(F)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-6-8-3-4-9(10,11)5-8/h7-8,12H,3-6H2,1-2H3
InChIKeyIZZKEACNZJQZCU-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

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

N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine (PubChem CID 130477526) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]propan-2-amine
PubChem CID130477526
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCC(F)(F)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-6-8-3-4-9(10,11)5-8/h7-8,12H,3-6H2,1-2H3
InChIKeyIZZKEACNZJQZCU-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
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-difluorocyclopentyl)methyl]propan-2-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine (CID 130477526) is N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine is CC(C)NCC1CCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine?
The InChIKey is IZZKEACNZJQZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)12-6-8-3-4-9(10,11)5-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine?
N-[(3,3-difluorocyclopentyl)methyl]propan-2-amine has a molecular weight of 177.24 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-difluorocyclopentyl)methyl]propan-2-amine is sourced from PubChem (CID 130477526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).