(5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine

C9H17F2N — CID 178101189

IUPAC(5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine
SMILESCN1C[C@@H](C(F)F)CC(C)(C)C1
InChIInChI=1S/C9H17F2N/c1-9(2)4-7(8(10)11)5-12(3)6-9/h7-8H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyLVUKFPLMKNLRLS-ZETCQYMHSA-N
MW177.24 g/mol
LogP2.23
Rot. Bonds1

About (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine

(5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine (PubChem CID 178101189) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine.

Molecular Properties

Compound Name(5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine
PubChem CID178101189
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine
SMILESCN1C[C@@H](C(F)F)CC(C)(C)C1
InChIInChI=1S/C9H17F2N/c1-9(2)4-7(8(10)11)5-12(3)6-9/h7-8H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyLVUKFPLMKNLRLS-ZETCQYMHSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine?
The IUPAC name of (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine (CID 178101189) is (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine.
What is the SMILES notation for (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine?
The canonical SMILES for (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine is CN1C[C@@H](C(F)F)CC(C)(C)C1.
What is the InChIKey of (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine?
The InChIKey is LVUKFPLMKNLRLS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F2N/c1-9(2)4-7(8(10)11)5-12(3)6-9/h7-8H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine?
(5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(difluoromethyl)-1,3,3-trimethylpiperidine is sourced from PubChem (CID 178101189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).