(4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate

C11H18FNO2 — CID 91487620

IUPAC(4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OC1CC=C(F)CC1
InChIInChI=1S/C11H18FNO2/c1-8(2)7-13-11(14)15-10-5-3-9(12)4-6-10/h3,8,10H,4-7H2,1-2H3,(H,13,14)
InChIKeyMLGGWJKRZYGAQY-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.77
Rot. Bonds3

About (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate

(4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate (PubChem CID 91487620) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name(4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate
PubChem CID91487620
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name(4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OC1CC=C(F)CC1
InChIInChI=1S/C11H18FNO2/c1-8(2)7-13-11(14)15-10-5-3-9(12)4-6-10/h3,8,10H,4-7H2,1-2H3,(H,13,14)
InChIKeyMLGGWJKRZYGAQY-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorocyclohex-3-en-1-yl) N-tert-butylcarbamate
CID 91309759
3-methoxybutyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
CID 58895304
3-methoxybutyl N-(3-cyclohex-3-en-1-ylprop-2-enyl)carbamate
CID 72456028
tert-butyl N-(4-cyclohex-3-en-1-yloxybutyl)carbamate
CID 123170006
5-propan-2-ylidenenon-6-en-3-yl N-propylcarbamate
CID 123740702
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate?
The IUPAC name of (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate (CID 91487620) is (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate.
What is the SMILES notation for (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate?
The canonical SMILES for (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OC1CC=C(F)CC1.
What is the InChIKey of (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate?
The InChIKey is MLGGWJKRZYGAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8(2)7-13-11(14)15-10-5-3-9(12)4-6-10/h3,8,10H,4-7H2,1-2H3,(H,13,14).
What are the key properties of (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate?
(4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate has a molecular weight of 215.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohex-3-en-1-yl) N-(2-methylpropyl)carbamate is sourced from PubChem (CID 91487620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).