(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine

C6H11F2N — CID 178147486

IUPAC(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
SMILESC[C@@H]1C[C@H](C(F)F)CN1
InChIInChI=1S/C6H11F2N/c1-4-2-5(3-9-4)6(7)8/h4-6,9H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyGHIPIVWWRHOSGE-UHNVWZDZSA-N
MW135.16 g/mol
LogP1.25
Rot. Bonds1

About (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine

(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine (PubChem CID 178147486) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
PubChem CID178147486
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
SMILESC[C@@H]1C[C@H](C(F)F)CN1
InChIInChI=1S/C6H11F2N/c1-4-2-5(3-9-4)6(7)8/h4-6,9H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyGHIPIVWWRHOSGE-UHNVWZDZSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(difluoromethyl)-2-methylpiperidine
CID 105429324
(2R,5R)-5-(difluoromethyl)-2-methylpiperidine
CID 155904689
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CID 22088644
(2R,4R)-2-methyl-4-propan-2-ylpiperidine
CID 96733113
4-methyl-3-azabicyclo[4.1.0]heptane
CID 21339025
4-bromo-2-methylpyrrolidine
CID 90961953
(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine
CID 99778390
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229
3-(difluoromethyl)azetidine;hydrochloride
CID 66653486
2-methyl-4-(2-methylpropyl)pyrrolidine
CID 82594318
4-ethyl-2-methylpyrrolidine
CID 23313713
2-methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine?
The IUPAC name of (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine (CID 178147486) is (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine?
The canonical SMILES for (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine is C[C@@H]1C[C@H](C(F)F)CN1.
What is the InChIKey of (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine?
The InChIKey is GHIPIVWWRHOSGE-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11F2N/c1-4-2-5(3-9-4)6(7)8/h4-6,9H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine?
(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine has a molecular weight of 135.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine is sourced from PubChem (CID 178147486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).