1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine

C10H9F10N — CID 129271430

IUPAC1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)=C(F)C(F)(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H9F10N/c11-6(7(12)13)8(14,10(18,19)20)21-3-1-5(2-4-21)9(15,16)17/h5H,1-4H2
InChIKeyQSJHAKREPBCDRD-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.57
Rot. Bonds2

About 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine

1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine (PubChem CID 129271430) has the molecular formula C10H9F10N and a molecular weight of 333.17 g/mol. Its IUPAC name is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
PubChem CID129271430
Molecular FormulaC10H9F10N
Molecular Weight333.17 g/mol
Exact Mass333.06
IUPAC Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)=C(F)C(F)(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H9F10N/c11-6(7(12)13)8(14,10(18,19)20)21-3-1-5(2-4-21)9(15,16)17/h5H,1-4H2
InChIKeyQSJHAKREPBCDRD-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.57
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-(2,2-Difluoroethyl)-4-(trifluoromethyl)piperidine
CID 87561360
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
CID 118673880
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
3,5-Bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207487
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)piperidine
CID 129207488
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 129207490
4-(Trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207498
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207499
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207501
1-(1,2-Difluoroprop-2-enyl)-4-(trifluoromethyl)piperidine
CID 129207792
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207800

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine (CID 129271430) is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine is FC(F)=C(F)C(F)(N1CCC(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is QSJHAKREPBCDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10N/c11-6(7(12)13)8(14,10(18,19)20)21-3-1-5(2-4-21)9(15,16)17/h5H,1-4H2.
What are the key properties of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine?
1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 333.17 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 129271430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).