N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide

C8H13F3N2O — CID 64992436

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide
SMILESO=CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-2-1-7(4-13)3-12-6-14/h6-7H,1-5H2,(H,12,14)
InChIKeyJUIWWMQXVROUSP-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.62
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide (PubChem CID 64992436) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide
PubChem CID64992436
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide
SMILESO=CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-2-1-7(4-13)3-12-6-14/h6-7H,1-5H2,(H,12,14)
InChIKeyJUIWWMQXVROUSP-UHFFFAOYSA-N
XLogP0.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 60856164
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
2-(prop-2-enylamino)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 79285873
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
N-(oxolan-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 82836650
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 51090941
1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695
ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide
CID 145231026
N-[(5-bromofuran-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856141
6-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hexanamide
CID 60856493
1-ethylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 115900778

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide (CID 64992436) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide is O=CNCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide?
The InChIKey is JUIWWMQXVROUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)5-13-2-1-7(4-13)3-12-6-14/h6-7H,1-5H2,(H,12,14).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide has a molecular weight of 210.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]formamide is sourced from PubChem (CID 64992436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).