1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine

C7H11F5N2 — CID 115030408

IUPAC1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine
SMILESNC1CCN(CC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C7H11F5N2/c8-6(9,7(10,11)12)4-14-2-1-5(13)3-14/h5H,1-4,13H2
InChIKeyCTZRUGBUQLBEJL-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.22
Rot. Bonds2

About 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine

1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine (PubChem CID 115030408) has the molecular formula C7H11F5N2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine
PubChem CID115030408
Molecular FormulaC7H11F5N2
Molecular Weight218.17 g/mol
Exact Mass218.08
IUPAC Name1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine
SMILESNC1CCN(CC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C7H11F5N2/c8-6(9,7(10,11)12)4-14-2-1-5(13)3-14/h5H,1-4,13H2
InChIKeyCTZRUGBUQLBEJL-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)pyrrolidin-3-amine;dihydrochloride
CID 75994015
1-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine
CID 130905706
1-(2,2,3,3,3-pentafluoropropyl)-4-propan-2-ylpiperidine
CID 137409417
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 174922919
1-prop-2-ynylpyrrolidin-3-amine
CID 60861470
(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120836248
methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
CID 164888555
1-(2-ethyl-2-methyloctyl)pyrrolidin-3-amine
CID 130346741
4-[(3S)-3-aminopyrrolidin-1-yl]butanenitrile
CID 94340658
1-(1,1,2-trifluoroethyl)pyrrolidin-3-amine
CID 89159129

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine (CID 115030408) is 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine is NC1CCN(CC(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine?
The InChIKey is CTZRUGBUQLBEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2/c8-6(9,7(10,11)12)4-14-2-1-5(13)3-14/h5H,1-4,13H2.
What are the key properties of 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine?
1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine has a molecular weight of 218.17 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,3-pentafluoropropyl)pyrrolidin-3-amine is sourced from PubChem (CID 115030408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).