N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

C11H11F4N — CID 71648928

IUPACN-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESFc1cccc(CN(C2CC2)C(F)(F)F)c1
InChIInChI=1S/C11H11F4N/c12-9-3-1-2-8(6-9)7-16(10-4-5-10)11(13,14)15/h1-3,6,10H,4-5,7H2
InChIKeyBRBLFLBOYRLORH-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.31
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (PubChem CID 71648928) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
PubChem CID71648928
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESFc1cccc(CN(C2CC2)C(F)(F)F)c1
InChIInChI=1S/C11H11F4N/c12-9-3-1-2-8(6-9)7-16(10-4-5-10)11(13,14)15/h1-3,6,10H,4-5,7H2
InChIKeyBRBLFLBOYRLORH-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648779
N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71634575
N-[(3-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650369
N-benzyl-N-(trifluoromethyl)piperidin-4-amine
CID 71648787
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
CID 110008215
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (CID 71648928) is N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is Fc1cccc(CN(C2CC2)C(F)(F)F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The InChIKey is BRBLFLBOYRLORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-9-3-1-2-8(6-9)7-16(10-4-5-10)11(13,14)15/h1-3,6,10H,4-5,7H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine has a molecular weight of 233.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is sourced from PubChem (CID 71648928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).