2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine

C8H13F4N — CID 130718541

IUPAC2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
SMILESCC1CCCN1CC(F)(F)C(F)F
InChIInChI=1S/C8H13F4N/c1-6-3-2-4-13(6)5-8(11,12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyFBJYXMXIEHVXLZ-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine

2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine (PubChem CID 130718541) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
PubChem CID130718541
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
SMILESCC1CCCN1CC(F)(F)C(F)F
InChIInChI=1S/C8H13F4N/c1-6-3-2-4-13(6)5-8(11,12)7(9)10/h6-7H,2-5H2,1H3
InChIKeyFBJYXMXIEHVXLZ-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 106293338
2-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropyl)piperidin-4-amine
CID 106293319
1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 130487919
1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine
CID 134568282
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819
2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
CID 104550406
1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 64818955
3-ethyl-2-(2,2,3,3-tetrafluoropropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 103740100
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
CID 63704351
(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine
CID 95634847
2-fluoro-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 135391104
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
The IUPAC name of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine (CID 130718541) is 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine.
What is the SMILES notation for 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
The canonical SMILES for 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine is CC1CCCN1CC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
The InChIKey is FBJYXMXIEHVXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c1-6-3-2-4-13(6)5-8(11,12)7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine?
2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine has a molecular weight of 199.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine is sourced from PubChem (CID 130718541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).