1-(1,3-difluoropropan-2-yl)-4-methylpiperidine

C9H17F2N — CID 58787293

IUPAC1-(1,3-difluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(CF)CF)CC1
InChIInChI=1S/C9H17F2N/c1-8-2-4-12(5-3-8)9(6-10)7-11/h8-9H,2-7H2,1H3
InChIKeySKDARXDLNXLSNL-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.03
Rot. Bonds3

About 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine

1-(1,3-difluoropropan-2-yl)-4-methylpiperidine (PubChem CID 58787293) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(1,3-difluoropropan-2-yl)-4-methylpiperidine
PubChem CID58787293
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(1,3-difluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(CF)CF)CC1
InChIInChI=1S/C9H17F2N/c1-8-2-4-12(5-3-8)9(6-10)7-11/h8-9H,2-7H2,1H3
InChIKeySKDARXDLNXLSNL-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine?
The IUPAC name of 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine (CID 58787293) is 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine?
The canonical SMILES for 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine is CC1CCN(C(CF)CF)CC1.
What is the InChIKey of 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine?
The InChIKey is SKDARXDLNXLSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-8-2-4-12(5-3-8)9(6-10)7-11/h8-9H,2-7H2,1H3.
What are the key properties of 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine?
1-(1,3-difluoropropan-2-yl)-4-methylpiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-difluoropropan-2-yl)-4-methylpiperidine is sourced from PubChem (CID 58787293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).