1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine

C9H13F4N — CID 129207762

IUPAC1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine
SMILESC=C(F)C(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F4N/c1-7(10)8(9(11,12)13)14-5-3-2-4-6-14/h8H,1-6H2
InChIKeyBYSIIXJRSVLIKW-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.89
Rot. Bonds2

About 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine

1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine (PubChem CID 129207762) has the molecular formula C9H13F4N and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine
PubChem CID129207762
Molecular FormulaC9H13F4N
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine
SMILESC=C(F)C(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H13F4N/c1-7(10)8(9(11,12)13)14-5-3-2-4-6-14/h8H,1-6H2
InChIKeyBYSIIXJRSVLIKW-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
CID 58902685
1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
4,4-Difluoro-1,2-dimethyl-3-methylidenepiperidine
CID 123411602
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
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207499
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]piperidine
CID 129207799
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 129207966
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207967
1-(1,1,1-Trifluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 129207969
1-(1,1,1,2,3,4,4-Heptafluorobut-3-en-2-yl)piperidine
CID 129271744
1-But-3-enyl-4,4-difluoropiperidine
CID 133682465

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine?
The IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine (CID 129207762) is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine.
What is the SMILES notation for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine?
The canonical SMILES for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine is C=C(F)C(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine?
The InChIKey is BYSIIXJRSVLIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N/c1-7(10)8(9(11,12)13)14-5-3-2-4-6-14/h8H,1-6H2.
What are the key properties of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine?
1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine has a molecular weight of 211.20 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperidine is sourced from PubChem (CID 129207762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).