N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide

C11H18FNO — CID 176804032

IUPACN-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CC2(C1)CC2F
InChIInChI=1S/C11H18FNO/c1-7(2)3-10(14)13-8-4-11(5-8)6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyUQYDZQXKWKALEC-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.04
Rot. Bonds3

About N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide

N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide (PubChem CID 176804032) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide
PubChem CID176804032
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CC2(C1)CC2F
InChIInChI=1S/C11H18FNO/c1-7(2)3-10(14)13-8-4-11(5-8)6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyUQYDZQXKWKALEC-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide?
The IUPAC name of N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide (CID 176804032) is N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide.
What is the SMILES notation for N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide?
The canonical SMILES for N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CC2(C1)CC2F.
What is the InChIKey of N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide?
The InChIKey is UQYDZQXKWKALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-7(2)3-10(14)13-8-4-11(5-8)6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide?
N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide has a molecular weight of 199.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide is sourced from PubChem (CID 176804032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).