(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene

C16H11F3O — CID 118487630

IUPAC(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene
SMILESFC(F)(F)c1ccc([C@@H]2C=Cc3ccccc3O2)cc1
InChIInChI=1S/C16H11F3O/c17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15/h1-10,15H/t15-/m0/s1
InChIKeyNZWOSNMQIOXZJJ-HNNXBMFYSA-N
MW276.26 g/mol
LogP4.85
Rot. Bonds1

About (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene

(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene (PubChem CID 118487630) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene.

Molecular Properties

Compound Name(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene
PubChem CID118487630
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene
SMILESFC(F)(F)c1ccc([C@@H]2C=Cc3ccccc3O2)cc1
InChIInChI=1S/C16H11F3O/c17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15/h1-10,15H/t15-/m0/s1
InChIKeyNZWOSNMQIOXZJJ-HNNXBMFYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[4-(trifluoromethyl)phenyl]ethynyl]-2H-chromene
CID 154717761
6-tert-butyl-2-phenyl-2H-chromene
CID 12601693
(2S)-6-fluoro-2-phenyl-2H-chromene
CID 102138705
1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one
CID 154585851
2H-chromene-2-thiol
CID 154323304
(2S)-6-chloro-2-phenyl-2H-chromene
CID 53236519
2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene
CID 86009822
6-(trifluoromethyl)-2H-chromene-2-carboxylic acid
CID 174270923
(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104950149
2-(2H-chromen-2-yl)chromen-4-one
CID 175793106
9-[4-[4-(trifluoromethyl)phenyl]phenyl]-9H-fluorene
CID 162621152
8-bromo-2-[4-(trifluoromethyl)phenyl]-2H-1,4-benzoxazine
CID 118982281

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene?
The IUPAC name of (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene (CID 118487630) is (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene.
What is the SMILES notation for (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene?
The canonical SMILES for (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene is FC(F)(F)c1ccc([C@@H]2C=Cc3ccccc3O2)cc1.
What is the InChIKey of (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene?
The InChIKey is NZWOSNMQIOXZJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11F3O/c17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15/h1-10,15H/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene?
(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene has a molecular weight of 276.26 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene is sourced from PubChem (CID 118487630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).