propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate

C11H22FNO2 — CID 174318680

IUPACpropan-2-yl N-(2-fluoro-2-methylhexyl)carbamate
SMILESCCCCC(C)(F)CNC(=O)OC(C)C
InChIInChI=1S/C11H22FNO2/c1-5-6-7-11(4,12)8-13-10(14)15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyIPKJJCJNKVZFID-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.04
Rot. Bonds6

About propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate

propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate (PubChem CID 174318680) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-fluoro-2-methylhexyl)carbamate
PubChem CID174318680
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Namepropan-2-yl N-(2-fluoro-2-methylhexyl)carbamate
SMILESCCCCC(C)(F)CNC(=O)OC(C)C
InChIInChI=1S/C11H22FNO2/c1-5-6-7-11(4,12)8-13-10(14)15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyIPKJJCJNKVZFID-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate?
The IUPAC name of propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate (CID 174318680) is propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate is CCCCC(C)(F)CNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate?
The InChIKey is IPKJJCJNKVZFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-5-6-7-11(4,12)8-13-10(14)15-9(2)3/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate?
propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate has a molecular weight of 219.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-fluoro-2-methylhexyl)carbamate is sourced from PubChem (CID 174318680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).