1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine

C10H17F2N — CID 105443651

IUPAC1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCC2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H17F2N/c11-10(12)4-2-8(7-10)1-3-9(13)5-6-9/h8H,1-7,13H2
InChIKeyQMOGGNNOJSRLAV-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine

1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine (PubChem CID 105443651) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine
PubChem CID105443651
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCC2CCC(F)(F)C2)CC1
InChIInChI=1S/C10H17F2N/c11-10(12)4-2-8(7-10)1-3-9(13)5-6-9/h8H,1-7,13H2
InChIKeyQMOGGNNOJSRLAV-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine (CID 105443651) is 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine is NC1(CCC2CCC(F)(F)C2)CC1.
What is the InChIKey of 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine?
The InChIKey is QMOGGNNOJSRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)4-2-8(7-10)1-3-9(13)5-6-9/h8H,1-7,13H2.
What are the key properties of 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine?
1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluorocyclopentyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105443651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).