2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide

C10H18F3NO — CID 11564832

IUPAC2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)5-4-6-8(3)14-9(15)10(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyORDPYVUTDDGQGB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.88
Rot. Bonds5

About 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide

2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide (PubChem CID 11564832) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
PubChem CID11564832
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-7(2)5-4-6-8(3)14-9(15)10(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyORDPYVUTDDGQGB-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
methyl (4S)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 102062040
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
(2S)-2-chloro-N-[(2S)-6-methylheptan-2-yl]propanamide
CID 92660565
N-(6-methylheptan-2-yl)-2-sulfanylpropanamide
CID 107025134
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide (CID 11564832) is 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is ORDPYVUTDDGQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)5-4-6-8(3)14-9(15)10(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide?
2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 11564832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).