(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene

C12H15FO — CID 129390775

IUPAC(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)[C@@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C12H15FO/c1-8(2)11-5-3-9-7-10(13)4-6-12(9)14-11/h4,6-8,11H,3,5H2,1-2H3/t11-/m0/s1
InChIKeyVCZNKSATJFZFGH-NSHDSACASA-N
MW194.25 g/mol
LogP3.18
Rot. Bonds1

About (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene

(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 129390775) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID129390775
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)[C@@H]1CCc2cc(F)ccc2O1
InChIInChI=1S/C12H15FO/c1-8(2)11-5-3-9-7-10(13)4-6-12(9)14-11/h4,6-8,11H,3,5H2,1-2H3/t11-/m0/s1
InChIKeyVCZNKSATJFZFGH-NSHDSACASA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

2-propan-2-yl-3,4-dihydro-2H-chromene-6-thiol
CID 20765951
6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 168743383
6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene
CID 143057687
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
CID 161067218
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
CID 58795145
CID 58795145
[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium
CID 90890036
2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen
CID 145188563
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
CID 11626384
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);sulfane
CID 169428735
2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
CID 69246193

Frequently Asked Questions

What is the IUPAC name of (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene (CID 129390775) is (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene is CC(C)[C@@H]1CCc2cc(F)ccc2O1.
What is the InChIKey of (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is VCZNKSATJFZFGH-NSHDSACASA-N. The full InChI is InChI=1S/C12H15FO/c1-8(2)11-5-3-9-7-10(13)4-6-12(9)14-11/h4,6-8,11H,3,5H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene?
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 194.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 129390775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).