1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine

C12H19F5N2O — CID 172588356

IUPAC1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCOC[C@]1(CN2CCN(CC(F)(F)F)CC2)CC1(F)F
InChIInChI=1S/C12H19F5N2O/c1-20-9-10(6-11(10,13)14)7-18-2-4-19(5-3-18)8-12(15,16)17/h2-9H2,1H3/t10-/m1/s1
InChIKeyWTJSFXBYUVLKGD-SNVBAGLBSA-N
MW302.29 g/mol
LogP1.84
Rot. Bonds5

About 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 172588356) has the molecular formula C12H19F5N2O and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID172588356
Molecular FormulaC12H19F5N2O
Molecular Weight302.29 g/mol
Exact Mass302.14
IUPAC Name1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCOC[C@]1(CN2CCN(CC(F)(F)F)CC2)CC1(F)F
InChIInChI=1S/C12H19F5N2O/c1-20-9-10(6-11(10,13)14)7-18-2-4-19(5-3-18)8-12(15,16)17/h2-9H2,1H3/t10-/m1/s1
InChIKeyWTJSFXBYUVLKGD-SNVBAGLBSA-N
XLogP1.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]-4-(trifluoromethyl)piperazine
CID 130418397
1-[(3S)-1,2-difluoro-3-[(4R)-3,3,4,5,5,5-hexafluoropentan-2-yl]oxy-2-(trifluoromethyl)butyl]-4-methylpiperazine
CID 130418415
1-Methyl-4-[1,2,3,3,3-pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]piperazine
CID 130418448
1-Methyl-4-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]piperazine
CID 130418459
1-[1,2-Difluoro-2-(fluoromethyl)-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-4-(trifluoromethyl)piperazine;ethane
CID 145366151
[1-[(4-Methylpiperazin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 164878701
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
CID 170601860
4,4-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 172328349
4,4-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine;ethane
CID 172350112
Ethane;1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350372
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 172350463
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
CID 172588179

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 172588356) is 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine is COC[C@]1(CN2CCN(CC(F)(F)F)CC2)CC1(F)F.
What is the InChIKey of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is WTJSFXBYUVLKGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19F5N2O/c1-20-9-10(6-11(10,13)14)7-18-2-4-19(5-3-18)8-12(15,16)17/h2-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 302.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 172588356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).