N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide

C10H20FNO — CID 122599025

IUPACN-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide
SMILESCCCC[C@@H](C)C(CF)NC(C)=O
InChIInChI=1S/C10H20FNO/c1-4-5-6-8(2)10(7-11)12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyZONGJEAMMHYIBT-HNHGDDPOSA-N
MW189.27 g/mol
LogP2.29
Rot. Bonds6

About N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide

N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide (PubChem CID 122599025) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide
PubChem CID122599025
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide
SMILESCCCC[C@@H](C)C(CF)NC(C)=O
InChIInChI=1S/C10H20FNO/c1-4-5-6-8(2)10(7-11)12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)/t8-,10?/m1/s1
InChIKeyZONGJEAMMHYIBT-HNHGDDPOSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide?
The IUPAC name of N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide (CID 122599025) is N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide?
The canonical SMILES for N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide is CCCC[C@@H](C)C(CF)NC(C)=O.
What is the InChIKey of N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide?
The InChIKey is ZONGJEAMMHYIBT-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H20FNO/c1-4-5-6-8(2)10(7-11)12-9(3)13/h8,10H,4-7H2,1-3H3,(H,12,13)/t8-,10?/m1/s1.
What are the key properties of N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide?
N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide has a molecular weight of 189.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-fluoro-3-methylheptan-2-yl]acetamide is sourced from PubChem (CID 122599025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).