(4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine

C10H17F2N — CID 142523581

IUPAC(4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine
SMILESC/C=C(\C)[C@H]1CCN(C)CC1(F)F
InChIInChI=1S/C10H17F2N/c1-4-8(2)9-5-6-13(3)7-10(9,11)12/h4,9H,5-7H2,1-3H3/b8-4+/t9-/m1/s1
InChIKeySFQZUSHVRCROGV-VGANXODHSA-N
MW189.25 g/mol
LogP2.54
Rot. Bonds1

About (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine

(4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine (PubChem CID 142523581) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name(4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine
PubChem CID142523581
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine
SMILESC/C=C(\C)[C@H]1CCN(C)CC1(F)F
InChIInChI=1S/C10H17F2N/c1-4-8(2)9-5-6-13(3)7-10(9,11)12/h4,9H,5-7H2,1-3H3/b8-4+/t9-/m1/s1
InChIKeySFQZUSHVRCROGV-VGANXODHSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836536
(8aS)-2-methyl-6-(trifluoromethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline
CID 70836557
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
2-ethyl-8-(trifluoromethyl)-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514082
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
1-Methyl-4-[2-(trifluoromethyl)cyclohexa-2,5-dien-1-yl]piperidine
CID 91802982
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine?
The IUPAC name of (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine (CID 142523581) is (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine.
What is the SMILES notation for (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine?
The canonical SMILES for (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine is C/C=C(\C)[C@H]1CCN(C)CC1(F)F.
What is the InChIKey of (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine?
The InChIKey is SFQZUSHVRCROGV-VGANXODHSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-8(2)9-5-6-13(3)7-10(9,11)12/h4,9H,5-7H2,1-3H3/b8-4+/t9-/m1/s1.
What are the key properties of (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine?
(4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine has a molecular weight of 189.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine is sourced from PubChem (CID 142523581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).