(2-fluoro-3-hydroxy-3-methylbutyl) carbamate

C6H12FNO3 — CID 118210807

IUPAC(2-fluoro-3-hydroxy-3-methylbutyl) carbamate
SMILESCC(C)(O)C(F)COC(N)=O
InChIInChI=1S/C6H12FNO3/c1-6(2,10)4(7)3-11-5(8)9/h4,10H,3H2,1-2H3,(H2,8,9)
InChIKeyULNQCLUBGISXIS-UHFFFAOYSA-N
MW165.16 g/mol
LogP0.19
Rot. Bonds3

About (2-fluoro-3-hydroxy-3-methylbutyl) carbamate

(2-fluoro-3-hydroxy-3-methylbutyl) carbamate (PubChem CID 118210807) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is (2-fluoro-3-hydroxy-3-methylbutyl) carbamate.

Molecular Properties

Compound Name(2-fluoro-3-hydroxy-3-methylbutyl) carbamate
PubChem CID118210807
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(2-fluoro-3-hydroxy-3-methylbutyl) carbamate
SMILESCC(C)(O)C(F)COC(N)=O
InChIInChI=1S/C6H12FNO3/c1-6(2,10)4(7)3-11-5(8)9/h4,10H,3H2,1-2H3,(H2,8,9)
InChIKeyULNQCLUBGISXIS-UHFFFAOYSA-N
XLogP0.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4,4-Trifluoro-2-hydroxy-2-methylbutyl) carbamate
CID 87692386
(2,2-Difluoro-3-hydroxy-3-methylbutyl) carbamate
CID 169684930
[(2R)-2-fluoro-3-hydroxy-3-methylbutyl] carbamate
CID 174757940
[(2S)-2-fluoro-3-hydroxy-2-methylpropyl] carbamate
CID 175247654
(2-Fluoro-3-hydroxy-2-methylpropyl) carbamate
CID 175247655
(3-Methoxy-3-methylbutyl) carbamate
CID 19430622
(4-Hydroxy-3-methylbutan-2-yl) carbamate
CID 88828205
(4-Hydroxy-2,3-dimethylbutan-2-yl) carbamate
CID 134254407
(3-Hydroxy-3-methylbutyl) carbamate
CID 141371856
(4-Hydroxy-2-methylbutan-2-yl) carbamate
CID 153951398
(3-Hydroxy-3-methylcyclobutyl) carbamate
CID 154022139
Tert-butyl carbamate;3-fluorobutan-1-ol
CID 168263733

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-hydroxy-3-methylbutyl) carbamate?
The IUPAC name of (2-fluoro-3-hydroxy-3-methylbutyl) carbamate (CID 118210807) is (2-fluoro-3-hydroxy-3-methylbutyl) carbamate.
What is the SMILES notation for (2-fluoro-3-hydroxy-3-methylbutyl) carbamate?
The canonical SMILES for (2-fluoro-3-hydroxy-3-methylbutyl) carbamate is CC(C)(O)C(F)COC(N)=O.
What is the InChIKey of (2-fluoro-3-hydroxy-3-methylbutyl) carbamate?
The InChIKey is ULNQCLUBGISXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3/c1-6(2,10)4(7)3-11-5(8)9/h4,10H,3H2,1-2H3,(H2,8,9).
What are the key properties of (2-fluoro-3-hydroxy-3-methylbutyl) carbamate?
(2-fluoro-3-hydroxy-3-methylbutyl) carbamate has a molecular weight of 165.16 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-hydroxy-3-methylbutyl) carbamate is sourced from PubChem (CID 118210807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).