1-(2,2-difluoroethyl)-3-phenylpiperazine

C12H16F2N2 — CID 64834472

IUPAC1-(2,2-difluoroethyl)-3-phenylpiperazine
SMILESFC(F)CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C12H16F2N2/c13-12(14)9-16-7-6-15-11(8-16)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2
InChIKeyRFEWNVNBCITYCF-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.90
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-phenylpiperazine

1-(2,2-difluoroethyl)-3-phenylpiperazine (PubChem CID 64834472) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-phenylpiperazine
PubChem CID64834472
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-(2,2-difluoroethyl)-3-phenylpiperazine
SMILESFC(F)CN1CCNC(c2ccccc2)C1
InChIInChI=1S/C12H16F2N2/c13-12(14)9-16-7-6-15-11(8-16)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2
InChIKeyRFEWNVNBCITYCF-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
1-[(2,5-difluorophenyl)methyl]-3-phenylpiperazine
CID 64832271
1-[(E)-3-chloroprop-2-enyl]-3-phenylpiperazine
CID 107901367
3-phenyl-1-(2,2,3,3-tetrafluoropropyl)-1,4-diazepane
CID 106294194
1-[(3-chloro-2-fluorophenyl)methyl]-3-phenylpiperazine
CID 102862405
1-chloro-3-phenylpiperazine
CID 18428014
5-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 114186803
1-(2-ethylsulfanylethyl)-3-phenylpiperazine
CID 113474467
3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64831892
1-(cyclohexylmethyl)-3-phenyl-1,4-diazepane
CID 64857077
3-[(3-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408712
3-phenyl-1-(3-propoxypropyl)piperazine
CID 82947433

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-phenylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-phenylpiperazine (CID 64834472) is 1-(2,2-difluoroethyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-phenylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-phenylpiperazine is FC(F)CN1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-phenylpiperazine?
The InChIKey is RFEWNVNBCITYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-12(14)9-16-7-6-15-11(8-16)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2.
What are the key properties of 1-(2,2-difluoroethyl)-3-phenylpiperazine?
1-(2,2-difluoroethyl)-3-phenylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-phenylpiperazine is sourced from PubChem (CID 64834472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).