2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile

C9H11F3N2 — CID 103367549

IUPAC2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNC1CC=CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2/c10-9(11,12)7(5-13)6-14-8-3-1-2-4-8/h1-2,7-8,14H,3-4,6H2
InChIKeyXSTVSNVTIVADQS-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.00
Rot. Bonds3

About 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile

2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367549) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367549
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNC1CC=CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2/c10-9(11,12)7(5-13)6-14-8-3-1-2-4-8/h1-2,7-8,14H,3-4,6H2
InChIKeyXSTVSNVTIVADQS-UHFFFAOYSA-N
XLogP2.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanenitrile
CID 103366950
3,3,3-trifluoro-2-[(thian-4-ylamino)methyl]propanenitrile
CID 103367586
2-[[(3-ethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367326
3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
CID 103367367
3,3,3-trifluoro-2-[(pyrrol-1-ylamino)methyl]propanenitrile
CID 103367378
3,3,3-trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanenitrile
CID 103367209
3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile
CID 103367484
(2S)-1-(cyclopent-3-en-1-ylamino)propan-2-ol
CID 106932543
3,3,3-trifluoro-2-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]propanenitrile
CID 103367626
2-[(4-bromoanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103366960
3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile
CID 103367487
methyl 2-[(2-cyano-3,3,3-trifluoropropyl)amino]acetate
CID 103366879

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile (CID 103367549) is 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile is N#CC(CNC1CC=CC1)C(F)(F)F.
What is the InChIKey of 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is XSTVSNVTIVADQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)7(5-13)6-14-8-3-1-2-4-8/h1-2,7-8,14H,3-4,6H2.
What are the key properties of 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile?
2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 204.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopent-3-en-1-ylamino)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).