N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

C16H14F3NO — CID 115917148

IUPACN-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO/c17-11-2-7-14-10(9-11)1-8-15(14)20-12-3-5-13(6-4-12)21-16(18)19/h2-7,9,15-16,20H,1,8H2
InChIKeyNDPFNRKJGOAOOZ-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.53
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 115917148) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID115917148
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO/c17-11-2-7-14-10(9-11)1-8-15(14)20-12-3-5-13(6-4-12)21-16(18)19/h2-7,9,15-16,20H,1,8H2
InChIKeyNDPFNRKJGOAOOZ-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
CID 107681840
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115929026
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
CID 116531106
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 116530834
N-[2-(2,2-difluoroethoxy)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103082723

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 115917148) is N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NDPFNRKJGOAOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-11-2-7-14-10(9-11)1-8-15(14)20-12-3-5-13(6-4-12)21-16(18)19/h2-7,9,15-16,20H,1,8H2.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.29 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115917148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).