(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde

C8H14F2N2O — CID 175527940

IUPAC(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde
SMILESC[C@@H]1CN(CC(F)F)CCN1C=O
InChIInChI=1S/C8H14F2N2O/c1-7-4-11(5-8(9)10)2-3-12(7)6-13/h6-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyHQBGBEVQSGNWHT-SSDOTTSWSA-N
MW192.21 g/mol
LogP0.41
Rot. Bonds3

About (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde

(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde (PubChem CID 175527940) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde
PubChem CID175527940
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde
SMILESC[C@@H]1CN(CC(F)F)CCN1C=O
InChIInChI=1S/C8H14F2N2O/c1-7-4-11(5-8(9)10)2-3-12(7)6-13/h6-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyHQBGBEVQSGNWHT-SSDOTTSWSA-N
XLogP0.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde 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

1-Formyl-4-isopropylpiperazine
CID 18796408
2,2,2-Trifluoro-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 62727304
2-Methylpiperazine-1,4-dicarbaldehyde
CID 268470
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 59418253
1-(4-Butan-2-ylpiperazin-1-yl)-2,2,2-trifluoroethanone
CID 64591867
4-(2,2,2-Trifluoroethyl)piperazine-1-carbaldehyde
CID 64992619
4-(Trifluoromethyl)piperazine-1-carbaldehyde
CID 87456493
1-[(2R)-4-butan-2-yl-2-methylpiperazin-1-yl]-2,2,2-trifluoroethanone
CID 118358598
1-[4-Propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]ethanone
CID 121459216
Methyl 4-methyl-3-(trifluoromethyl)piperazine-1-carboxylate
CID 121459875
1-[3-Methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 126758609
1-[4-(1,1,1-Trifluoropropan-2-yl)piperazin-1-yl]ethanone
CID 126758623

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde?
The IUPAC name of (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde (CID 175527940) is (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde.
What is the SMILES notation for (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde?
The canonical SMILES for (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde is C[C@@H]1CN(CC(F)F)CCN1C=O.
What is the InChIKey of (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde?
The InChIKey is HQBGBEVQSGNWHT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-7-4-11(5-8(9)10)2-3-12(7)6-13/h6-8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde?
(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde is sourced from PubChem (CID 175527940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).