3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride

C7H15ClFN — CID 162764761

IUPAC3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride
SMILESCC(C)(F)C1CCNC1.Cl
InChIInChI=1S/C7H14FN.ClH/c1-7(2,8)6-3-4-9-5-6;/h6,9H,3-5H2,1-2H3;1H
InChIKeyOSBLKQLGKFUWRB-UHFFFAOYSA-N
MW167.65 g/mol
LogP1.77
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride

3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride (PubChem CID 162764761) has the molecular formula C7H15ClFN and a molecular weight of 167.65 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride
PubChem CID162764761
Molecular FormulaC7H15ClFN
Molecular Weight167.65 g/mol
Exact Mass167.09
IUPAC Name3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride
SMILESCC(C)(F)C1CCNC1.Cl
InChIInChI=1S/C7H14FN.ClH/c1-7(2,8)6-3-4-9-5-6;/h6,9H,3-5H2,1-2H3;1H
InChIKeyOSBLKQLGKFUWRB-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.65
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride (CID 162764761) is 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride is CC(C)(F)C1CCNC1.Cl.
What is the InChIKey of 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride?
The InChIKey is OSBLKQLGKFUWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.ClH/c1-7(2,8)6-3-4-9-5-6;/h6,9H,3-5H2,1-2H3;1H.
What are the key properties of 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride?
3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride has a molecular weight of 167.65 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 162764761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).