(5-fluoro-2-methylpentan-2-yl) carbamate

C7H14FNO2 — CID 150885569

IUPAC(5-fluoro-2-methylpentan-2-yl) carbamate
SMILESCC(C)(CCCF)OC(N)=O
InChIInChI=1S/C7H14FNO2/c1-7(2,4-3-5-8)11-6(9)10/h3-5H2,1-2H3,(H2,9,10)
InChIKeyKWXLRLKCPOHXCR-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.61
Rot. Bonds4

About (5-fluoro-2-methylpentan-2-yl) carbamate

(5-fluoro-2-methylpentan-2-yl) carbamate (PubChem CID 150885569) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (5-fluoro-2-methylpentan-2-yl) carbamate.

Molecular Properties

Compound Name(5-fluoro-2-methylpentan-2-yl) carbamate
PubChem CID150885569
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(5-fluoro-2-methylpentan-2-yl) carbamate
SMILESCC(C)(CCCF)OC(N)=O
InChIInChI=1S/C7H14FNO2/c1-7(2,4-3-5-8)11-6(9)10/h3-5H2,1-2H3,(H2,9,10)
InChIKeyKWXLRLKCPOHXCR-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 (5-fluoro-2-methylpentan-2-yl) carbamate?
The IUPAC name of (5-fluoro-2-methylpentan-2-yl) carbamate (CID 150885569) is (5-fluoro-2-methylpentan-2-yl) carbamate.
What is the SMILES notation for (5-fluoro-2-methylpentan-2-yl) carbamate?
The canonical SMILES for (5-fluoro-2-methylpentan-2-yl) carbamate is CC(C)(CCCF)OC(N)=O.
What is the InChIKey of (5-fluoro-2-methylpentan-2-yl) carbamate?
The InChIKey is KWXLRLKCPOHXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(2,4-3-5-8)11-6(9)10/h3-5H2,1-2H3,(H2,9,10).
What are the key properties of (5-fluoro-2-methylpentan-2-yl) carbamate?
(5-fluoro-2-methylpentan-2-yl) carbamate has a molecular weight of 163.19 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylpentan-2-yl) carbamate is sourced from PubChem (CID 150885569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).