3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine

C8H14F4N2 — CID 103815505

IUPAC3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCC1CN(CC(F)(F)C(F)F)CCN1
InChIInChI=1S/C8H14F4N2/c1-6-4-14(3-2-13-6)5-8(11,12)7(9)10/h6-7,13H,2-5H2,1H3
InChIKeyMBFWCAJHHQOEHW-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.18
Rot. Bonds3

About 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine

3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine (PubChem CID 103815505) has the molecular formula C8H14F4N2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
PubChem CID103815505
Molecular FormulaC8H14F4N2
Molecular Weight214.21 g/mol
Exact Mass214.11
IUPAC Name3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCC1CN(CC(F)(F)C(F)F)CCN1
InChIInChI=1S/C8H14F4N2/c1-6-4-14(3-2-13-6)5-8(11,12)7(9)10/h6-7,13H,2-5H2,1H3
InChIKeyMBFWCAJHHQOEHW-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-3-methylpiperazine
CID 59519991
4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane
CID 106294820
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
3-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine
CID 79550120
1-(3-methoxy-2,2-dimethylpropyl)-3-methylpiperazine;hydrochloride
CID 120840258
1-[(3R)-3-methylpiperazin-1-yl]butan-2-ol
CID 104975632
2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 112741495
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
N-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidin-3-amine
CID 106294062
(3S)-1-[dideuterio-(1-deuteriocyclopropyl)methyl]-3-methylpiperazine
CID 139391199
1-[(E)-3-chloroprop-2-enyl]-3-methylpiperazine
CID 65448653
(3R)-1-[[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 120615750

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The IUPAC name of 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine (CID 103815505) is 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine.
What is the SMILES notation for 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The canonical SMILES for 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine is CC1CN(CC(F)(F)C(F)F)CCN1.
What is the InChIKey of 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The InChIKey is MBFWCAJHHQOEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2/c1-6-4-14(3-2-13-6)5-8(11,12)7(9)10/h6-7,13H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine has a molecular weight of 214.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine is sourced from PubChem (CID 103815505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).