1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine

C8H17FN2 — CID 83854042

IUPAC1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC(F)C1
InChIInChI=1S/C8H17FN2/c1-8(2,10)6-11-4-3-7(9)5-11/h7H,3-6,10H2,1-2H3
InChIKeyFKQLRFNSPSQWMH-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.77
Rot. Bonds2

About 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine

1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine (PubChem CID 83854042) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine
PubChem CID83854042
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC(F)C1
InChIInChI=1S/C8H17FN2/c1-8(2,10)6-11-4-3-7(9)5-11/h7H,3-6,10H2,1-2H3
InChIKeyFKQLRFNSPSQWMH-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine (CID 83854042) is 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine is CC(C)(N)CN1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine?
The InChIKey is FKQLRFNSPSQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8(2,10)6-11-4-3-7(9)5-11/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine?
1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine has a molecular weight of 160.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 83854042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).