N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine

C11H11F4N — CID 68941723

IUPACN-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFc1c(CNC2CC2)cccc1C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-10-7(6-16-8-4-5-8)2-1-3-9(10)11(13,14)15/h1-3,8,16H,4-6H2
InChIKeyQDSVHNUCAOJCKH-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.10
Rot. Bonds3

About N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine

N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine (PubChem CID 68941723) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
PubChem CID68941723
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC NameN-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFc1c(CNC2CC2)cccc1C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-10-7(6-16-8-4-5-8)2-1-3-9(10)11(13,14)15/h1-3,8,16H,4-6H2
InChIKeyQDSVHNUCAOJCKH-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 83307890
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
4-[(3-chloro-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 114489051
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine (CID 68941723) is N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine is Fc1c(CNC2CC2)cccc1C(F)(F)F.
What is the InChIKey of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is QDSVHNUCAOJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-10-7(6-16-8-4-5-8)2-1-3-9(10)11(13,14)15/h1-3,8,16H,4-6H2.
What are the key properties of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 233.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 68941723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).