3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine

C10H19F2NO — CID 163250605

IUPAC3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCC1CCNCC1(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-6-4-9-3-5-13-7-10(9,11)12/h8-9,13H,3-7H2,1-2H3
InChIKeyNTTKZFDAUBHDTQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.05
Rot. Bonds4

About 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine

3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine (PubChem CID 163250605) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine
PubChem CID163250605
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCCC1CCNCC1(F)F
InChIInChI=1S/C10H19F2NO/c1-8(2)14-6-4-9-3-5-13-7-10(9,11)12/h8-9,13H,3-7H2,1-2H3
InChIKeyNTTKZFDAUBHDTQ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine (CID 163250605) is 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine is CC(C)OCCC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is NTTKZFDAUBHDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(2)14-6-4-9-3-5-13-7-10(9,11)12/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine?
3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 207.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 163250605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).