3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol

C12H14F3NO — CID 107089579

IUPAC3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(CCC(F)(F)F)c2ccccc21
InChIInChI=1S/C12H14F3NO/c13-12(14,15)6-5-11(17)7-10(16)8-3-1-2-4-9(8)11/h1-4,10,17H,5-7,16H2
InChIKeyRSHPVYBYJGWTCF-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.62
Rot. Bonds2

About 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol

3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol (PubChem CID 107089579) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol
PubChem CID107089579
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(CCC(F)(F)F)c2ccccc21
InChIInChI=1S/C12H14F3NO/c13-12(14,15)6-5-11(17)7-10(16)8-3-1-2-4-9(8)11/h1-4,10,17H,5-7,16H2
InChIKeyRSHPVYBYJGWTCF-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 14348695
3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
Aminoindanol
CID 19357388
4-(Aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492472
1-(aminomethyl)-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 55268800
1-(aminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 83906486
1-(2-aminoethyl)-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 139026737
rac-(1R,3S)-3-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 154878828
(1S,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013033
(1R,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013035
(1r,2s)-cis-Aminoindanol
CID 21032378
1H-Inden-1-ol, 1-amino-2,3-dihydro-, (1S)-
CID 34178363

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol (CID 107089579) is 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol is NC1CC(O)(CCC(F)(F)F)c2ccccc21.
What is the InChIKey of 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol?
The InChIKey is RSHPVYBYJGWTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)6-5-11(17)7-10(16)8-3-1-2-4-9(8)11/h1-4,10,17H,5-7,16H2.
What are the key properties of 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol?
3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol has a molecular weight of 245.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3,3-trifluoropropyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).