4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide

C11H19F3N2O — CID 43711817

IUPAC4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESNCCCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-3-1-4-9(7-8)16-10(17)5-2-6-15/h8-9H,1-7,15H2,(H,16,17)
InChIKeyNJTGQVKKPANDCE-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide

4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 43711817) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID43711817
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESNCCCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-3-1-4-9(7-8)16-10(17)5-2-6-15/h8-9H,1-7,15H2,(H,16,17)
InChIKeyNJTGQVKKPANDCE-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
Acetamide, N-(cyclohexylmethyl)-2,2,2-trifluoro-
CID 10488619
2,2,2-trifluoro-N-(4-methylcyclohexyl)acetamide
CID 13811892
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide
CID 18071391
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide hydrochloride
CID 167733793
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146
N-[4-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40138363
N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 42936327
N-[4-(trifluoromethyl)cyclohexyl]cyclopentanecarboxamide
CID 45868402
N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide
CID 86793835

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 43711817) is 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide is NCCCC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is NJTGQVKKPANDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-3-1-4-9(7-8)16-10(17)5-2-6-15/h8-9H,1-7,15H2,(H,16,17).
What are the key properties of 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 252.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 43711817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).