N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide

C10H14F3NO — CID 178108214

IUPACN-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide
SMILESCCC(=O)NC1CC2C(C1)C2C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-2-8(15)14-5-3-6-7(4-5)9(6)10(11,12)13/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyGXXOLQULZRYHNI-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.10
Rot. Bonds2

About N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide

N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide (PubChem CID 178108214) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide
PubChem CID178108214
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide
SMILESCCC(=O)NC1CC2C(C1)C2C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-2-8(15)14-5-3-6-7(4-5)9(6)10(11,12)13/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyGXXOLQULZRYHNI-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide?
The IUPAC name of N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide (CID 178108214) is N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide?
The canonical SMILES for N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide is CCC(=O)NC1CC2C(C1)C2C(F)(F)F.
What is the InChIKey of N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide?
The InChIKey is GXXOLQULZRYHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-8(15)14-5-3-6-7(4-5)9(6)10(11,12)13/h5-7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide?
N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide has a molecular weight of 221.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]propanamide is sourced from PubChem (CID 178108214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).