2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine

C22H14F5NO — CID 134300771

IUPAC2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine
SMILESC=c1cc2c(cc1F)=C(c1ccccc1)c1cc(F)c(NCC(F)(F)F)cc1O2
InChIInChI=1S/C22H14F5NO/c1-12-7-19-14(8-16(12)23)21(13-5-3-2-4-6-13)15-9-17(24)18(10-20(15)29-19)28-11-22(25,26)27/h2-10,28H,1,11H2
InChIKeyDKOAYDIABNNMSE-UHFFFAOYSA-N
MW403.35 g/mol
LogP4.70
Rot. Bonds3

About 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine

2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine (PubChem CID 134300771) has the molecular formula C22H14F5NO and a molecular weight of 403.35 g/mol. Its IUPAC name is 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine.

Molecular Properties

Compound Name2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine
PubChem CID134300771
Molecular FormulaC22H14F5NO
Molecular Weight403.35 g/mol
Exact Mass403.10
IUPAC Name2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine
SMILESC=c1cc2c(cc1F)=C(c1ccccc1)c1cc(F)c(NCC(F)(F)F)cc1O2
InChIInChI=1S/C22H14F5NO/c1-12-7-19-14(8-16(12)23)21(13-5-3-2-4-6-13)15-9-17(24)18(10-20(15)29-19)28-11-22(25,26)27/h2-10,28H,1,11H2
InChIKeyDKOAYDIABNNMSE-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine?
The IUPAC name of 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine (CID 134300771) is 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine.
What is the SMILES notation for 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine?
The canonical SMILES for 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine is C=c1cc2c(cc1F)=C(c1ccccc1)c1cc(F)c(NCC(F)(F)F)cc1O2.
What is the InChIKey of 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine?
The InChIKey is DKOAYDIABNNMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5NO/c1-12-7-19-14(8-16(12)23)21(13-5-3-2-4-6-13)15-9-17(24)18(10-20(15)29-19)28-11-22(25,26)27/h2-10,28H,1,11H2.
What are the key properties of 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine?
2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine has a molecular weight of 403.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-6-methylidene-9-phenyl-N-(2,2,2-trifluoroethyl)xanthen-3-amine is sourced from PubChem (CID 134300771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).