N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C13H13F4NO — CID 106212461

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFc1ccc2c(c1)CC(CNC1(C(F)(F)F)CC1)O2
InChIInChI=1S/C13H13F4NO/c14-9-1-2-11-8(5-9)6-10(19-11)7-18-12(3-4-12)13(15,16)17/h1-2,5,10,18H,3-4,6-7H2
InChIKeyLUWDKGPGNLJVDW-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.81
Rot. Bonds3

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212461) has the molecular formula C13H13F4NO and a molecular weight of 275.24 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212461
Molecular FormulaC13H13F4NO
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFc1ccc2c(c1)CC(CNC1(C(F)(F)F)CC1)O2
InChIInChI=1S/C13H13F4NO/c14-9-1-2-11-8(5-9)6-10(19-11)7-18-12(3-4-12)13(15,16)17/h1-2,5,10,18H,3-4,6-7H2
InChIKeyLUWDKGPGNLJVDW-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66363911
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66364695
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359131
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629599
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212461) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is Fc1ccc2c(c1)CC(CNC1(C(F)(F)F)CC1)O2.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is LUWDKGPGNLJVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c14-9-1-2-11-8(5-9)6-10(19-11)7-18-12(3-4-12)13(15,16)17/h1-2,5,10,18H,3-4,6-7H2.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 275.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).