N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C10H13F2NO — CID 115466646

IUPACN-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFC(F)CNC1CCCc2occc21
InChIInChI=1S/C10H13F2NO/c11-10(12)6-13-8-2-1-3-9-7(8)4-5-14-9/h4-5,8,10,13H,1-3,6H2
InChIKeyVEDJUCWRQQCEGC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.51
Rot. Bonds3

About N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466646) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466646
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFC(F)CNC1CCCc2occc21
InChIInChI=1S/C10H13F2NO/c11-10(12)6-13-8-2-1-3-9-7(8)4-5-14-9/h4-5,8,10,13H,1-3,6H2
InChIKeyVEDJUCWRQQCEGC-UHFFFAOYSA-N
XLogP2.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106290111
N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107093981
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 43208224
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208228
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 82712185
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466646) is N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is FC(F)CNC1CCCc2occc21.
What is the InChIKey of N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is VEDJUCWRQQCEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)6-13-8-2-1-3-9-7(8)4-5-14-9/h4-5,8,10,13H,1-3,6H2.
What are the key properties of N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 201.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).