1-(3,3-dimethylbutyl)-4,4-difluoropiperidine

C11H21F2N — CID 58044363

IUPAC1-(3,3-dimethylbutyl)-4,4-difluoropiperidine
SMILESCC(C)(C)CCN1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2N/c1-10(2,3)4-7-14-8-5-11(12,13)6-9-14/h4-9H2,1-3H3
InChIKeyVKYFISDDPYYWJS-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine

1-(3,3-dimethylbutyl)-4,4-difluoropiperidine (PubChem CID 58044363) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4,4-difluoropiperidine
PubChem CID58044363
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-(3,3-dimethylbutyl)-4,4-difluoropiperidine
SMILESCC(C)(C)CCN1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2N/c1-10(2,3)4-7-14-8-5-11(12,13)6-9-14/h4-9H2,1-3H3
InChIKeyVKYFISDDPYYWJS-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine (CID 58044363) is 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine is CC(C)(C)CCN1CCC(F)(F)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine?
The InChIKey is VKYFISDDPYYWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-10(2,3)4-7-14-8-5-11(12,13)6-9-14/h4-9H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine?
1-(3,3-dimethylbutyl)-4,4-difluoropiperidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-4,4-difluoropiperidine is sourced from PubChem (CID 58044363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).