N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C11H13F4NO — CID 106290111

IUPACN-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFC(F)C(F)(F)CNC1CCCc2occc21
InChIInChI=1S/C11H13F4NO/c12-10(13)11(14,15)6-16-8-2-1-3-9-7(8)4-5-17-9/h4-5,8,10,16H,1-3,6H2
InChIKeyQKHPKOQMHZOHPK-UHFFFAOYSA-N
MW251.22 g/mol
LogP3.15
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 106290111) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID106290111
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFC(F)C(F)(F)CNC1CCCc2occc21
InChIInChI=1S/C11H13F4NO/c12-10(13)11(14,15)6-16-8-2-1-3-9-7(8)4-5-17-9/h4-5,8,10,16H,1-3,6H2
InChIKeyQKHPKOQMHZOHPK-UHFFFAOYSA-N
XLogP3.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
CID 107094040
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466026
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
4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
CID 115466423
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
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 43208224

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 106290111) is N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is FC(F)C(F)(F)CNC1CCCc2occc21.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is QKHPKOQMHZOHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c12-10(13)11(14,15)6-16-8-2-1-3-9-7(8)4-5-17-9/h4-5,8,10,16H,1-3,6H2.
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 251.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 106290111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).