3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide

C9H14F3NO — CID 176873148

IUPAC3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-6(2)5-7(14)13-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyRAPCRPCKNYOLCJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.24
Rot. Bonds3

About 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide

3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide (PubChem CID 176873148) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
PubChem CID176873148
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-6(2)5-7(14)13-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyRAPCRPCKNYOLCJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-5,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
CID 106213349
2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 106213402
(2S)-2-amino-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213284
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213177
2-methyl-3-oxo-3-[[1-(trifluoromethyl)cyclopropyl]amino]propanoic acid
CID 106216719
4-(2-aminoethyl)-N-[1-(trifluoromethyl)cyclopropyl]heptanamide
CID 106213334
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106216855
1-(2-methylpropyl)-3-[1-(trifluoromethyl)cyclopropyl]thiourea
CID 106217409
2-cyano-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 106213496
N-[4-(chloromethyl)oxan-4-yl]-3-methylbutanamide
CID 106300477
N-[4-(bromomethyl)oxan-4-yl]-3-methylbutanamide
CID 106300984
3-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
CID 106216545

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The IUPAC name of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide (CID 176873148) is 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The canonical SMILES for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide is CC(C)CC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The InChIKey is RAPCRPCKNYOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6(2)5-7(14)13-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide has a molecular weight of 209.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide is sourced from PubChem (CID 176873148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).