(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol

C16H16FNO — CID 103498434

IUPAC(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C16H16FNO/c1-11(19)12-3-6-15(7-4-12)18-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,19H,8-9H2,1H3/t11-/m0/s1
InChIKeyVJGAFDWSLKKVND-NSHDSACASA-N
MW257.31 g/mol
LogP3.57
Rot. Bonds2

About (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol

(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol (PubChem CID 103498434) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
PubChem CID103498434
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C16H16FNO/c1-11(19)12-3-6-15(7-4-12)18-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,19H,8-9H2,1H3/t11-/m0/s1
InChIKeyVJGAFDWSLKKVND-NSHDSACASA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794
1-[5-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]propan-1-ol
CID 103498405
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
(1R)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496695
(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496697
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
CID 122476442
4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
CID 103504800

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol (CID 103498434) is (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol is C[C@H](O)c1ccc(N2CCc3ccc(F)cc32)cc1.
What is the InChIKey of (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol?
The InChIKey is VJGAFDWSLKKVND-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FNO/c1-11(19)12-3-6-15(7-4-12)18-9-8-13-2-5-14(17)10-16(13)18/h2-7,10-11,19H,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol?
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol has a molecular weight of 257.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol is sourced from PubChem (CID 103498434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).