N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide

C9H14F3NO — CID 10488619

IUPACN-(cyclohexylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)
InChIKeyUPGMYJPYALRFEG-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.25
Rot. Bonds2

About N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide

N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 10488619) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,2,2-trifluoroacetamide
PubChem CID10488619
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-(cyclohexylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)
InChIKeyUPGMYJPYALRFEG-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-Ethylhexyl)trifluoroacetamide
CID 546371
2,2,2-Trifluoro-N-(piperidin-4-ylmethyl)acetamide
CID 17998885
N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
Pentafluoropropanamide, N-(2-ethylhexyl)-
CID 91726924
2,2,2-trifluoro-N-(4-methylcyclohexyl)acetamide
CID 13811892
N-(cyclohexylmethyl)acetamide
CID 299700
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
N-(3-cyclopentylpropyl)-2,2,2-trifluoroacetamide
CID 103637527
N-(1-cyclo-hex-yl-2-iodoethyl)trifluoroacetamide
CID 132568110
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide (CID 10488619) is N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is UPGMYJPYALRFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14).
What are the key properties of N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide?
N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 209.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10488619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).