4,4-difluoro-1-prop-2-ynylpiperidine

C8H11F2N — CID 127014244

IUPAC4,4-difluoro-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(F)(F)CC1
InChIInChI=1S/C8H11F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h1H,3-7H2
InChIKeyJZKUJBKFVLNMRV-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.35
Rot. Bonds1

About 4,4-difluoro-1-prop-2-ynylpiperidine

4,4-difluoro-1-prop-2-ynylpiperidine (PubChem CID 127014244) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 4,4-difluoro-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-prop-2-ynylpiperidine
PubChem CID127014244
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4,4-difluoro-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(F)(F)CC1
InChIInChI=1S/C8H11F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h1H,3-7H2
InChIKeyJZKUJBKFVLNMRV-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Prop-2-yn-1-yl)piperidine
CID 336652
1-(2,2,3,3,3-Pentafluoropropyl)piperidine
CID 10976891
1-(3,3,3-Trifluoroprop-1-ynyl)piperidine
CID 15472876
1-(Trifluoromethyl)piperidine
CID 13147751
4,4-Difluoro-1-propylpiperidine
CID 45790542
1-(2,2-Difluoropropyl)piperidine
CID 51357996
1-(2,2,3,3-Tetrafluoropropyl)piperidine
CID 12554035
1-(2,2,2-Trifluoroethyl)piperidine
CID 17840004
1-(2,2,3,4,4,4-Hexafluorobutyl)piperidine
CID 17997710
1-(1,2,2-Trifluoroethyl)piperidine
CID 18457685
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-pentylpiperidine
CID 19783528
1-Butyl-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 19783538

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-prop-2-ynylpiperidine?
The IUPAC name of 4,4-difluoro-1-prop-2-ynylpiperidine (CID 127014244) is 4,4-difluoro-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4,4-difluoro-1-prop-2-ynylpiperidine?
The canonical SMILES for 4,4-difluoro-1-prop-2-ynylpiperidine is C#CCN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-prop-2-ynylpiperidine?
The InChIKey is JZKUJBKFVLNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-2-5-11-6-3-8(9,10)4-7-11/h1H,3-7H2.
What are the key properties of 4,4-difluoro-1-prop-2-ynylpiperidine?
4,4-difluoro-1-prop-2-ynylpiperidine has a molecular weight of 159.18 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-prop-2-ynylpiperidine is sourced from PubChem (CID 127014244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).