13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C27H16F3O3P — CID 11225299

IUPAC13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESFC(F)(F)c1ccc(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C27H16F3O3P/c28-27(29,30)19-11-13-20(14-12-19)31-34-32-23-15-9-17-5-1-3-7-21(17)25(23)26-22-8-4-2-6-18(22)10-16-24(26)33-34/h1-16H
InChIKeyNXGRCNCBRAKEDR-UHFFFAOYSA-N
MW476.39 g/mol
LogP9.46
Rot. Bonds2

About 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 11225299) has the molecular formula C27H16F3O3P and a molecular weight of 476.39 g/mol. Its IUPAC name is 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID11225299
Molecular FormulaC27H16F3O3P
Molecular Weight476.39 g/mol
Exact Mass476.08
IUPAC Name13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESFC(F)(F)c1ccc(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1
InChIInChI=1S/C27H16F3O3P/c28-27(29,30)19-11-13-20(14-12-19)31-34-32-23-15-9-17-5-1-3-7-21(17)25(23)26-22-8-4-2-6-18(22)10-16-24(26)33-34/h1-16H
InChIKeyNXGRCNCBRAKEDR-UHFFFAOYSA-N
XLogP9.46
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.39
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 11225299) is 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is FC(F)(F)c1ccc(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)cc1.
What is the InChIKey of 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is NXGRCNCBRAKEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F3O3P/c28-27(29,30)19-11-13-20(14-12-19)31-34-32-23-15-9-17-5-1-3-7-21(17)25(23)26-22-8-4-2-6-18(22)10-16-24(26)33-34/h1-16H.
What are the key properties of 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 476.39 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-(trifluoromethyl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 11225299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).