1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine

C10H9F10N — CID 130418370

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

About 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine

1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 130418370) 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-en-2-yl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID130418370
Molecular FormulaC10H9F10N
Molecular Weight333.17 g/mol
Exact Mass333.06
IUPAC Name1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine
SMILESF/C=C(\N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H9F10N/c11-2-7(10(18,19)20)21-3-5(8(12,13)14)1-6(4-21)9(15,16)17/h2,5-6H,1,3-4H2/b7-2-
InChIKeyJFVWBWJBNYSNLT-UQCOIBPSSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine (CID 130418370) is 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine is F/C=C(\N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is JFVWBWJBNYSNLT-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H9F10N/c11-2-7(10(18,19)20)21-3-5(8(12,13)14)1-6(4-21)9(15,16)17/h2,5-6H,1,3-4H2/b7-2-.
What are the key properties of 1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-3,5-bis(trifluoromethyl)piperidine?
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-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-en-2-yl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 130418370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).