tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate

C10H18FNO3 — CID 167730670

IUPACtert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CF)CC(O)C1
InChIInChI=1S/C10H18FNO3/c1-9(2,3)15-8(14)12-10(6-11)4-7(13)5-10/h7,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyUVZXZPXMDHVPDU-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate

tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate (PubChem CID 167730670) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate
PubChem CID167730670
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CF)CC(O)C1
InChIInChI=1S/C10H18FNO3/c1-9(2,3)15-8(14)12-10(6-11)4-7(13)5-10/h7,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyUVZXZPXMDHVPDU-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate (CID 167730670) is tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(CF)CC(O)C1.
What is the InChIKey of tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate?
The InChIKey is UVZXZPXMDHVPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-9(2,3)15-8(14)12-10(6-11)4-7(13)5-10/h7,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate?
tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate has a molecular weight of 219.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(fluoromethyl)-3-hydroxycyclobutyl]carbamate is sourced from PubChem (CID 167730670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).