1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol

C15H13ClFNO — CID 43716642

IUPAC1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO/c16-9-4-6-14(12(17)8-9)18-13-7-5-11-10(13)2-1-3-15(11)19/h1-4,6,8,13,18-19H,5,7H2
InChIKeyUKYMMUVIANASBY-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.28
Rot. Bonds2

About 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol

1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43716642) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43716642
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO/c16-9-4-6-14(12(17)8-9)18-13-7-5-11-10(13)2-1-3-15(11)19/h1-4,6,8,13,18-19H,5,7H2
InChIKeyUKYMMUVIANASBY-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637031
1-(2-chloro-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107527595
1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107633285
1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637015
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 65435898
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107527044
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbenzoic acid
CID 43736148
N-(4-chlorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067484
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-nitrophenol
CID 83065641
N-(4-chloro-2-fluorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981250
N-(4-chloro-2-fluorophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43785061
1-(2-bromo-4-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43742368

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol (CID 43716642) is 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is UKYMMUVIANASBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-9-4-6-14(12(17)8-9)18-13-7-5-11-10(13)2-1-3-15(11)19/h1-4,6,8,13,18-19H,5,7H2.
What are the key properties of 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 277.73 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43716642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).