(3S)-3-(difluoromethyl)-3-methylpiperidine

C7H13F2N — CID 58874293

IUPAC(3S)-3-(difluoromethyl)-3-methylpiperidine
SMILESC[C@]1(C(F)F)CCCNC1
InChIInChI=1S/C7H13F2N/c1-7(6(8)9)3-2-4-10-5-7/h6,10H,2-5H2,1H3/t7-/m0/s1
InChIKeyOECHIZHQVPZADG-ZETCQYMHSA-N
MW149.18 g/mol
LogP1.64
Rot. Bonds1

About (3S)-3-(difluoromethyl)-3-methylpiperidine

(3S)-3-(difluoromethyl)-3-methylpiperidine (PubChem CID 58874293) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (3S)-3-(difluoromethyl)-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-(difluoromethyl)-3-methylpiperidine
PubChem CID58874293
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(3S)-3-(difluoromethyl)-3-methylpiperidine
SMILESC[C@]1(C(F)F)CCCNC1
InChIInChI=1S/C7H13F2N/c1-7(6(8)9)3-2-4-10-5-7/h6,10H,2-5H2,1H3/t7-/m0/s1
InChIKeyOECHIZHQVPZADG-ZETCQYMHSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethyl)-3-methylpiperidine?
The IUPAC name of (3S)-3-(difluoromethyl)-3-methylpiperidine (CID 58874293) is (3S)-3-(difluoromethyl)-3-methylpiperidine.
What is the SMILES notation for (3S)-3-(difluoromethyl)-3-methylpiperidine?
The canonical SMILES for (3S)-3-(difluoromethyl)-3-methylpiperidine is C[C@]1(C(F)F)CCCNC1.
What is the InChIKey of (3S)-3-(difluoromethyl)-3-methylpiperidine?
The InChIKey is OECHIZHQVPZADG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13F2N/c1-7(6(8)9)3-2-4-10-5-7/h6,10H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-(difluoromethyl)-3-methylpiperidine?
(3S)-3-(difluoromethyl)-3-methylpiperidine has a molecular weight of 149.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethyl)-3-methylpiperidine is sourced from PubChem (CID 58874293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).