N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine

C11H14F3N — CID 118889336

IUPACN-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1C=CC(CNC2CC2)=CC1
InChIInChI=1S/C11H14F3N/c12-11(13,14)9-3-1-8(2-4-9)7-15-10-5-6-10/h1-3,9-10,15H,4-7H2
InChIKeyHJZPJZYJTOOAHL-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.80
Rot. Bonds3

About N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine

N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine (PubChem CID 118889336) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine
PubChem CID118889336
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1C=CC(CNC2CC2)=CC1
InChIInChI=1S/C11H14F3N/c12-11(13,14)9-3-1-8(2-4-9)7-15-10-5-6-10/h1-3,9-10,15H,4-7H2
InChIKeyHJZPJZYJTOOAHL-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine (CID 118889336) is N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine is FC(F)(F)C1C=CC(CNC2CC2)=CC1.
What is the InChIKey of N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine?
The InChIKey is HJZPJZYJTOOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c12-11(13,14)9-3-1-8(2-4-9)7-15-10-5-6-10/h1-3,9-10,15H,4-7H2.
What are the key properties of N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine?
N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine has a molecular weight of 217.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]cyclopropanamine is sourced from PubChem (CID 118889336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).