(3-fluoro-2,3-dimethylbutan-2-yl) carbamate

C7H14FNO2 — CID 123752269

IUPAC(3-fluoro-2,3-dimethylbutan-2-yl) carbamate
SMILESCC(C)(F)C(C)(C)OC(N)=O
InChIInChI=1S/C7H14FNO2/c1-6(2,8)7(3,4)11-5(9)10/h1-4H3,(H2,9,10)
InChIKeyNXSIHXWJSFCKLP-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.61
Rot. Bonds2

About (3-fluoro-2,3-dimethylbutan-2-yl) carbamate

(3-fluoro-2,3-dimethylbutan-2-yl) carbamate (PubChem CID 123752269) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (3-fluoro-2,3-dimethylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(3-fluoro-2,3-dimethylbutan-2-yl) carbamate
PubChem CID123752269
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(3-fluoro-2,3-dimethylbutan-2-yl) carbamate
SMILESCC(C)(F)C(C)(C)OC(N)=O
InChIInChI=1S/C7H14FNO2/c1-6(2,8)7(3,4)11-5(9)10/h1-4H3,(H2,9,10)
InChIKeyNXSIHXWJSFCKLP-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2,3-dimethylbutan-2-yl) carbamate?
The IUPAC name of (3-fluoro-2,3-dimethylbutan-2-yl) carbamate (CID 123752269) is (3-fluoro-2,3-dimethylbutan-2-yl) carbamate.
What is the SMILES notation for (3-fluoro-2,3-dimethylbutan-2-yl) carbamate?
The canonical SMILES for (3-fluoro-2,3-dimethylbutan-2-yl) carbamate is CC(C)(F)C(C)(C)OC(N)=O.
What is the InChIKey of (3-fluoro-2,3-dimethylbutan-2-yl) carbamate?
The InChIKey is NXSIHXWJSFCKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-6(2,8)7(3,4)11-5(9)10/h1-4H3,(H2,9,10).
What are the key properties of (3-fluoro-2,3-dimethylbutan-2-yl) carbamate?
(3-fluoro-2,3-dimethylbutan-2-yl) carbamate has a molecular weight of 163.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2,3-dimethylbutan-2-yl) carbamate is sourced from PubChem (CID 123752269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).