1-(butan-2-yloxymethyl)-4,4-difluoropiperidine

C10H19F2NO — CID 174009753

IUPAC1-(butan-2-yloxymethyl)-4,4-difluoropiperidine
SMILESCCC(C)OCN1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-3-9(2)14-8-13-6-4-10(11,12)5-7-13/h9H,3-8H2,1-2H3
InChIKeySWIGLLORLXRLFM-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.49
Rot. Bonds4

About 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine

1-(butan-2-yloxymethyl)-4,4-difluoropiperidine (PubChem CID 174009753) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(butan-2-yloxymethyl)-4,4-difluoropiperidine
PubChem CID174009753
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-(butan-2-yloxymethyl)-4,4-difluoropiperidine
SMILESCCC(C)OCN1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2NO/c1-3-9(2)14-8-13-6-4-10(11,12)5-7-13/h9H,3-8H2,1-2H3
InChIKeySWIGLLORLXRLFM-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine?
The IUPAC name of 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine (CID 174009753) is 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine is CCC(C)OCN1CCC(F)(F)CC1.
What is the InChIKey of 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine?
The InChIKey is SWIGLLORLXRLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-3-9(2)14-8-13-6-4-10(11,12)5-7-13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine?
1-(butan-2-yloxymethyl)-4,4-difluoropiperidine has a molecular weight of 207.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-yloxymethyl)-4,4-difluoropiperidine is sourced from PubChem (CID 174009753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).