(3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride

C5H11ClFN — CID 118992727

IUPAC(3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride
SMILESC[C@@H]1CNC[C@@H]1F.Cl
InChIInChI=1S/C5H10FN.ClH/c1-4-2-7-3-5(4)6;/h4-5,7H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyULJKTQQMOVYVDO-JBUOLDKXSA-N
MW139.60 g/mol
LogP0.99
Rot. Bonds

About (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride

(3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride (PubChem CID 118992727) has the molecular formula C5H11ClFN and a molecular weight of 139.60 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride
PubChem CID118992727
Molecular FormulaC5H11ClFN
Molecular Weight139.60 g/mol
Exact Mass139.06
IUPAC Name(3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride
SMILESC[C@@H]1CNC[C@@H]1F.Cl
InChIInChI=1S/C5H10FN.ClH/c1-4-2-7-3-5(4)6;/h4-5,7H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyULJKTQQMOVYVDO-JBUOLDKXSA-N
XLogP0.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.60
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-fluoropyrrolidine hydrochloride
CID 2759162
3-Methylpyrrolidine
CID 118158
3-Methylpyrrolidine hydrochloride
CID 12464314
3-(Trifluoromethyl)pyrrolidine hydrochloride
CID 17749759
3-Fluoropyrrolidine hydrochloride
CID 21975228
3,4-Dimethylpyrrolidine hydrochloride
CID 23091077
(3S)-3-methylpyrrolidine hydrochloride
CID 44828593
(3R)-3-Methylpyrrolidine--hydrogen chloride (1/1)
CID 44828594
3,3-Dimethylpyrrolidine hydrochloride
CID 46736057
3-(2-Fluoroethyl)pyrrolidine
CID 53409225
3-(Difluoromethyl)pyrrolidine hydrochloride
CID 71755614
3-Ethylpyrrolidine hydrochloride
CID 71755796

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride?
The IUPAC name of (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride (CID 118992727) is (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride.
What is the SMILES notation for (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride?
The canonical SMILES for (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride is C[C@@H]1CNC[C@@H]1F.Cl.
What is the InChIKey of (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride?
The InChIKey is ULJKTQQMOVYVDO-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H10FN.ClH/c1-4-2-7-3-5(4)6;/h4-5,7H,2-3H2,1H3;1H/t4-,5+;/m1./s1.
What are the key properties of (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride?
(3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride has a molecular weight of 139.60 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 118992727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).