(3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine

C10H18F2N2 — CID 91114812

IUPAC(3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine
SMILESCN1CC(F)C(C2CN(C)C[C@@H]2F)C1
InChIInChI=1S/C10H18F2N2/c1-13-3-7(9(11)5-13)8-4-14(2)6-10(8)12/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10?/m0/s1
InChIKeyGWFHVGQMQTXDPV-HTEYAMCKSA-N
MW204.26 g/mol
LogP0.79
Rot. Bonds1

About (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine

(3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine (PubChem CID 91114812) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine
PubChem CID91114812
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine
SMILESCN1CC(F)C(C2CN(C)C[C@@H]2F)C1
InChIInChI=1S/C10H18F2N2/c1-13-3-7(9(11)5-13)8-4-14(2)6-10(8)12/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10?/m0/s1
InChIKeyGWFHVGQMQTXDPV-HTEYAMCKSA-N
XLogP0.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723537
3-Fluoro-1-methyl-3-propan-2-ylpyrrolidine
CID 58944807
3-Fluoro-1-methyl-4-propan-2-ylpyrrolidine
CID 58944897
3-Ethyl-4-(fluoromethyl)-1-methylpyrrolidine
CID 58944949
3-(1-Fluoropropan-2-yl)-1-methylpyrrolidine
CID 58945078
1-Methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
CID 58945115
(2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine
CID 91805705
(3R)-1-[2-[(3R)-3-tert-butylpyrrolidin-1-yl]ethyl]-3-fluoropyrrolidine
CID 118213491
1-(2,2-Difluoropropyl)-3-propan-2-ylpyrrolidine
CID 118371709
3-Fluoro-1-[1-(1-methylpyrrolidin-3-yl)propan-2-yl]pyrrolidine
CID 123743172
(2S)-1-methyl-2-(trifluoromethyl)-4-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]pyrrolidine
CID 126614740

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine?
The IUPAC name of (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine (CID 91114812) is (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine?
The canonical SMILES for (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine is CN1CC(F)C(C2CN(C)C[C@@H]2F)C1.
What is the InChIKey of (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine?
The InChIKey is GWFHVGQMQTXDPV-HTEYAMCKSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-13-3-7(9(11)5-13)8-4-14(2)6-10(8)12/h7-10H,3-6H2,1-2H3/t7?,8?,9-,10?/m0/s1.
What are the key properties of (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine?
(3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine has a molecular weight of 204.26 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine is sourced from PubChem (CID 91114812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).