tert-butyl formate;4,4-difluoropiperidine

C10H19F2NO2 — CID 174784442

IUPACtert-butyl formate;4,4-difluoropiperidine
SMILESCC(C)(C)OC=O.FC1(F)CCNCC1
InChIInChI=1S/C5H9F2N.C5H10O2/c6-5(7)1-3-8-4-2-5;1-5(2,3)7-4-6/h8H,1-4H2;4H,1-3H3
InChIKeyBSMPTPQGXVCPON-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl formate;4,4-difluoropiperidine

tert-butyl formate;4,4-difluoropiperidine (PubChem CID 174784442) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is tert-butyl formate;4,4-difluoropiperidine.

Molecular Properties

Compound Nametert-butyl formate;4,4-difluoropiperidine
PubChem CID174784442
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Nametert-butyl formate;4,4-difluoropiperidine
SMILESCC(C)(C)OC=O.FC1(F)CCNCC1
InChIInChI=1S/C5H9F2N.C5H10O2/c6-5(7)1-3-8-4-2-5;1-5(2,3)7-4-6/h8H,1-4H2;4H,1-3H3
InChIKeyBSMPTPQGXVCPON-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;piperazine
CID 159581918
(4-aminopiperidin-4-yl)methanol;tert-butyl formate
CID 174950700
tert-butyl formate;ethane
CID 175326717
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl formate;4-(trifluoromethyl)piperidin-4-ol
CID 174428984
tert-butyl formate;3-methylpyrrolidin-3-amine
CID 174689676
tert-butyl formate;2-(4-methylpiperidin-4-yl)acetonitrile
CID 158247300
tert-butyl formate;4-(3-hydroxypropyl)piperidin-4-ol
CID 174761865
tert-butyl formate;carbamic acid;piperazine
CID 174978332
tert-butyl formate;4-[2-(trifluoromethyl)phenyl]piperidin-4-ol
CID 174526882
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;[(2S)-5,5-difluoropiperidin-2-yl]methanol
CID 174758740
4,4-difluoropiperidine;methane
CID 143607085

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4,4-difluoropiperidine?
The IUPAC name of tert-butyl formate;4,4-difluoropiperidine (CID 174784442) is tert-butyl formate;4,4-difluoropiperidine.
What is the SMILES notation for tert-butyl formate;4,4-difluoropiperidine?
The canonical SMILES for tert-butyl formate;4,4-difluoropiperidine is CC(C)(C)OC=O.FC1(F)CCNCC1.
What is the InChIKey of tert-butyl formate;4,4-difluoropiperidine?
The InChIKey is BSMPTPQGXVCPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C5H10O2/c6-5(7)1-3-8-4-2-5;1-5(2,3)7-4-6/h8H,1-4H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4,4-difluoropiperidine?
tert-butyl formate;4,4-difluoropiperidine has a molecular weight of 223.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4,4-difluoropiperidine is sourced from PubChem (CID 174784442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).