1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane

C20H43F3N2 — CID 157282567

IUPAC1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
SMILESC.C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1
InChIInChI=1S/C9H17F2N.C9H18FN.2CH4/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;;/h4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1H4
InChIKeyAZVKGWFMQJPMLX-UHFFFAOYSA-N
MW368.57 g/mol
LogP6.01
Rot. Bonds

About 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane

1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane (PubChem CID 157282567) has the molecular formula C20H43F3N2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane.

Molecular Properties

Compound Name1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
PubChem CID157282567
Molecular FormulaC20H43F3N2
Molecular Weight368.57 g/mol
Exact Mass368.34
IUPAC Name1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
SMILESC.C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1
InChIInChI=1S/C9H17F2N.C9H18FN.2CH4/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;;/h4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1H4
InChIKeyAZVKGWFMQJPMLX-UHFFFAOYSA-N
XLogP6.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
CID 157050293
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
CID 174065957
CID 174065957
1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
CID 118031425
1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
CID 118531544
(3S)-1-tert-butyl-N-[3-[3-(4,4-difluoropiperidin-1-yl)azetidin-1-yl]-3-methylbutyl]-N-methylpyrrolidin-3-amine
CID 167292234
(3S,4R)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 177072817
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane?
The IUPAC name of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane (CID 157282567) is 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane.
What is the SMILES notation for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane?
The canonical SMILES for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane is C.C.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(F)CC1.
What is the InChIKey of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane?
The InChIKey is AZVKGWFMQJPMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N.C9H18FN.2CH4/c1-8(2,3)12-6-4-9(10,11)5-7-12;1-9(2,3)11-6-4-8(10)5-7-11;;/h4-7H2,1-3H3;8H,4-7H2,1-3H3;2*1H4.
What are the key properties of 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane?
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane has a molecular weight of 368.57 g/mol, XLogP of 6.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane is sourced from PubChem (CID 157282567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).