2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene

C18H16F3NO3S — CID 71243862

IUPAC2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene
SMILESCC1(C)C=C(c2ccc(C(F)(F)F)cc2)c2ccc(NS(=O)O)cc2O1
InChIInChI=1S/C18H16F3NO3S/c1-17(2)10-15(11-3-5-12(6-4-11)18(19,20)21)14-8-7-13(22-26(23)24)9-16(14)25-17/h3-10,22H,1-2H3,(H,23,24)
InChIKeyWUKDKMBXEWCCTK-UHFFFAOYSA-N
MW383.39 g/mol
LogP4.86
Rot. Bonds3

About 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene

2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene (PubChem CID 71243862) has the molecular formula C18H16F3NO3S and a molecular weight of 383.39 g/mol. Its IUPAC name is 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene.

Molecular Properties

Compound Name2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene
PubChem CID71243862
Molecular FormulaC18H16F3NO3S
Molecular Weight383.39 g/mol
Exact Mass383.08
IUPAC Name2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene
SMILESCC1(C)C=C(c2ccc(C(F)(F)F)cc2)c2ccc(NS(=O)O)cc2O1
InChIInChI=1S/C18H16F3NO3S/c1-17(2)10-15(11-3-5-12(6-4-11)18(19,20)21)14-8-7-13(22-26(23)24)9-16(14)25-17/h3-10,22H,1-2H3,(H,23,24)
InChIKeyWUKDKMBXEWCCTK-UHFFFAOYSA-N
XLogP4.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(sulfinoamino)-1-[4-(trifluoromethyl)phenyl]benzene
CID 69027960
1-(sulfinoamino)-3-[4-(trifluoromethyl)phenyl]benzene
CID 69476059
2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydrochromene
CID 163913946
N-[2-[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]chromen-7-yl]oxyethyl]-2-phenylethanamine
CID 70572008
(2,2-dimethyl-4-phenylchromen-7-yl) trifluoromethanesulfonate
CID 59443090
1-[3-[2,2-dimethyl-7-(trifluoromethyl)chromen-4-yl]phenyl]azetidine-3-carboxylate
CID 140776435
2,2-dimethyl-7-(sulfinatoamino)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydrochromene
CID 163913945
1-[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]chromen-7-yl]oxy-N,N-dimethylethanamine;hydrochloride
CID 20570516
2,2,3,3-tetrafluoro-6-[4-(sulfinoamino)phenyl]-1,4-benzodioxine
CID 91213775
2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
CID 87056899
6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole
CID 68927625
[4-(4-fluorophenyl)-2,2-dimethylchromen-7-yl]methyl sulfamate
CID 123393966

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene?
The IUPAC name of 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene (CID 71243862) is 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene.
What is the SMILES notation for 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene?
The canonical SMILES for 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene is CC1(C)C=C(c2ccc(C(F)(F)F)cc2)c2ccc(NS(=O)O)cc2O1.
What is the InChIKey of 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene?
The InChIKey is WUKDKMBXEWCCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3S/c1-17(2)10-15(11-3-5-12(6-4-11)18(19,20)21)14-8-7-13(22-26(23)24)9-16(14)25-17/h3-10,22H,1-2H3,(H,23,24).
What are the key properties of 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene?
2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene has a molecular weight of 383.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(sulfinoamino)-4-[4-(trifluoromethyl)phenyl]chromene is sourced from PubChem (CID 71243862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).