N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine

C8H16FN — CID 131089404

IUPACN-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine
SMILESCC(C)N(CCF)C1CC1
InChIInChI=1S/C8H16FN/c1-7(2)10(6-5-9)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyAIFGGEFRYDFUTB-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.83
Rot. Bonds4

About N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine

N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine (PubChem CID 131089404) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine
PubChem CID131089404
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine
SMILESCC(C)N(CCF)C1CC1
InChIInChI=1S/C8H16FN/c1-7(2)10(6-5-9)8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyAIFGGEFRYDFUTB-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine?
The IUPAC name of N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine (CID 131089404) is N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine.
What is the SMILES notation for N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine?
The canonical SMILES for N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine is CC(C)N(CCF)C1CC1.
What is the InChIKey of N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine?
The InChIKey is AIFGGEFRYDFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)10(6-5-9)8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine?
N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine has a molecular weight of 145.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-propan-2-ylcyclopropanamine is sourced from PubChem (CID 131089404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).