1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine

C10H9F10N — CID 130418362

IUPAC1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
SMILESF/C(=C\C(F)(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H9F10N/c11-7(2-8(12,13)14)21-3-5(9(15,16)17)1-6(4-21)10(18,19)20/h2,5-6H,1,3-4H2/b7-2+
InChIKeyQIELDMQVWKCMQV-FARCUNLSSA-N
MW333.17 g/mol
LogP4.42
Rot. Bonds1

About 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine

1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 130418362) has the molecular formula C10H9F10N and a molecular weight of 333.17 g/mol. Its IUPAC name is 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID130418362
Molecular FormulaC10H9F10N
Molecular Weight333.17 g/mol
Exact Mass333.06
IUPAC Name1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
SMILESF/C(=C\C(F)(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H9F10N/c11-7(2-8(12,13)14)21-3-5(9(15,16)17)1-6(4-21)10(18,19)20/h2,5-6H,1,3-4H2/b7-2+
InChIKeyQIELDMQVWKCMQV-FARCUNLSSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.42
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-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 118673875
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 118673891
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-(1,2,2-Trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine
CID 121241192
(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine
CID 123163152
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 124113918
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118185
1-(1,2,2-Trifluorobut-3-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 124118196
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 129207485
3,5-Bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207487

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine (CID 130418362) is 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine is F/C(=C\C(F)(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is QIELDMQVWKCMQV-FARCUNLSSA-N. The full InChI is InChI=1S/C10H9F10N/c11-7(2-8(12,13)14)21-3-5(9(15,16)17)1-6(4-21)10(18,19)20/h2,5-6H,1,3-4H2/b7-2+.
What are the key properties of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine?
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 333.17 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 130418362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).