[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine

C8H14F4N2 — CID 115028625

IUPAC[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC(F)C(F)(F)F)C1
InChIInChI=1S/C8H14F4N2/c9-7(8(10,11)12)5-14-2-1-6(3-13)4-14/h6-7H,1-5,13H2
InChIKeyKGEGDTQPHOHTBF-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.17
Rot. Bonds3

About [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine

[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine (PubChem CID 115028625) has the molecular formula C8H14F4N2 and a molecular weight of 214.21 g/mol. Its IUPAC name is [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
PubChem CID115028625
Molecular FormulaC8H14F4N2
Molecular Weight214.21 g/mol
Exact Mass214.11
IUPAC Name[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CC(F)C(F)(F)F)C1
InChIInChI=1S/C8H14F4N2/c9-7(8(10,11)12)5-14-2-1-6(3-13)4-14/h6-7H,1-5,13H2
InChIKeyKGEGDTQPHOHTBF-UHFFFAOYSA-N
XLogP1.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethyl)-3-pyrrolidinemethanamine
CID 24700159
Ethyl((pyrrolidin-3-yl)methyl)(2,2,2-trifluoroethyl)amine
CID 62370721
(Pyrrolidin-3-ylmethyl)(2,2,2-trifluoroethyl)amine
CID 13491797
[1-Methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 20763642
(4,4-Difluoro-1-methylpyrrolidin-3-yl)methanamine
CID 20763700
(4-Fluoro-1-methylpyrrolidin-3-yl)methanamine
CID 20763704
[4-(Trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 21979499
[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 28193944
1-Pyrrolidinepropanamine, 3,3-difluoro-
CID 58413020
[(3S,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanamine
CID 60003940
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-difluoroethanamine
CID 60921894
2,2-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 60921896

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine (CID 115028625) is [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine is NCC1CCN(CC(F)C(F)(F)F)C1.
What is the InChIKey of [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is KGEGDTQPHOHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2/c9-7(8(10,11)12)5-14-2-1-6(3-13)4-14/h6-7H,1-5,13H2.
What are the key properties of [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine?
[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 214.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115028625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).