7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine

C15H11ClFNO — CID 118150111

IUPAC7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine
SMILESFCc1ccc(C2=Nc3ccc(Cl)cc3OC2)cc1
InChIInChI=1S/C15H11ClFNO/c16-12-5-6-13-15(7-12)19-9-14(18-13)11-3-1-10(8-17)2-4-11/h1-7H,8-9H2
InChIKeySNTISYFXRVUEBT-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.32
Rot. Bonds2

About 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine

7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine (PubChem CID 118150111) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine
PubChem CID118150111
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine
SMILESFCc1ccc(C2=Nc3ccc(Cl)cc3OC2)cc1
InChIInChI=1S/C15H11ClFNO/c16-12-5-6-13-15(7-12)19-9-14(18-13)11-3-1-10(8-17)2-4-11/h1-7H,8-9H2
InChIKeySNTISYFXRVUEBT-UHFFFAOYSA-N
XLogP4.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine?
The IUPAC name of 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine (CID 118150111) is 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine.
What is the SMILES notation for 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine?
The canonical SMILES for 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine is FCc1ccc(C2=Nc3ccc(Cl)cc3OC2)cc1.
What is the InChIKey of 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine?
The InChIKey is SNTISYFXRVUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-12-5-6-13-15(7-12)19-9-14(18-13)11-3-1-10(8-17)2-4-11/h1-7H,8-9H2.
What are the key properties of 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine?
7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine has a molecular weight of 275.71 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[4-(fluoromethyl)phenyl]-2H-1,4-benzoxazine is sourced from PubChem (CID 118150111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).