fluoromethyl piperidine-1-carboxylate

C7H12FNO2 — CID 141168732

IUPACfluoromethyl piperidine-1-carboxylate
SMILESO=C(OCF)N1CCCCC1
InChIInChI=1S/C7H12FNO2/c8-6-11-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKeyJPXKCDINVUBAAU-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.54
Rot. Bonds1

About fluoromethyl piperidine-1-carboxylate

fluoromethyl piperidine-1-carboxylate (PubChem CID 141168732) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is fluoromethyl piperidine-1-carboxylate.

Molecular Properties

Compound Namefluoromethyl piperidine-1-carboxylate
PubChem CID141168732
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Namefluoromethyl piperidine-1-carboxylate
SMILESO=C(OCF)N1CCCCC1
InChIInChI=1S/C7H12FNO2/c8-6-11-7(10)9-4-2-1-3-5-9/h1-6H2
InChIKeyJPXKCDINVUBAAU-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl azacycloundecane-1-carboxylate
CID 67670496
2,2-difluoroethyl piperidine-1-carboxylate
CID 91056424
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2-aminoethyl piperidine-1-carboxylate
CID 58684414
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
propyl azepane-1-carboxylate
CID 91585333
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
acetylsulfanylmethyl azepane-1-carboxylate
CID 141043409
(4-acetamidophenyl)methyl piperidine-1-carboxylate
CID 67794998
ethyl azetidine-1-carboxylate
CID 14088501
benzyl piperidine-1-carboxylate
CID 158057698
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627

Frequently Asked Questions

What is the IUPAC name of fluoromethyl piperidine-1-carboxylate?
The IUPAC name of fluoromethyl piperidine-1-carboxylate (CID 141168732) is fluoromethyl piperidine-1-carboxylate.
What is the SMILES notation for fluoromethyl piperidine-1-carboxylate?
The canonical SMILES for fluoromethyl piperidine-1-carboxylate is O=C(OCF)N1CCCCC1.
What is the InChIKey of fluoromethyl piperidine-1-carboxylate?
The InChIKey is JPXKCDINVUBAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-6-11-7(10)9-4-2-1-3-5-9/h1-6H2.
What are the key properties of fluoromethyl piperidine-1-carboxylate?
fluoromethyl piperidine-1-carboxylate has a molecular weight of 161.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl piperidine-1-carboxylate is sourced from PubChem (CID 141168732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).