ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine

C11H16F7N — CID 145366202

IUPACethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
SMILESCC.F/C(=C\C(F)(F)F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H10F7N.C2H6/c10-7(5-8(11,12)13)17-3-1-6(2-4-17)9(14,15)16;1-2/h5-6H,1-4H2;1-2H3/b7-5+;
InChIKeyRTMBMNBXSOMEFC-GZOLSCHFSA-N
MW295.24 g/mol
LogP4.66
Rot. Bonds1

About ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine

ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine (PubChem CID 145366202) has the molecular formula C11H16F7N and a molecular weight of 295.24 g/mol. Its IUPAC name is ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Nameethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
PubChem CID145366202
Molecular FormulaC11H16F7N
Molecular Weight295.24 g/mol
Exact Mass295.12
IUPAC Nameethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
SMILESCC.F/C(=C\C(F)(F)F)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H10F7N.C2H6/c10-7(5-8(11,12)13)17-3-1-6(2-4-17)9(14,15)16;1-2/h5-6H,1-4H2;1-2H3/b7-5+;
InChIKeyRTMBMNBXSOMEFC-GZOLSCHFSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperidine
CID 11964063
1-But-2-en-2-yl-4-(trifluoromethyl)piperidine
CID 68186471
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 118673893
1-(1,2,2-Trifluoroethenyl)-4-(trifluoromethyl)piperidine
CID 121241190
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 124113918
4-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 126663367
4-(Trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207498
1-[(E)-1,2-difluoroethenyl]-3,5-bis(trifluoromethyl)piperidine
CID 130418355
1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperidine
CID 130418356
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 130418362
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-(trifluoromethyl)piperidine
CID 130418372
3,5-dimethyl-1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperidine
CID 134302744

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine (CID 145366202) is ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine is CC.F/C(=C\C(F)(F)F)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
The InChIKey is RTMBMNBXSOMEFC-GZOLSCHFSA-N. The full InChI is InChI=1S/C9H10F7N.C2H6/c10-7(5-8(11,12)13)17-3-1-6(2-4-17)9(14,15)16;1-2/h5-6H,1-4H2;1-2H3/b7-5+;.
What are the key properties of ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine?
ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine has a molecular weight of 295.24 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 145366202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).