6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine

C14H11ClFNO — CID 4124439

IUPAC6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESFc1ccc(N2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C14H11ClFNO/c15-11-1-6-14-10(7-11)8-17(9-18-14)13-4-2-12(16)3-5-13/h1-7H,8-9H2
InChIKeyHSVFOLYJRPPPDM-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.84
Rot. Bonds1

About 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine

6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine (PubChem CID 4124439) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
PubChem CID4124439
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine
SMILESFc1ccc(N2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C14H11ClFNO/c15-11-1-6-14-10(7-11)8-17(9-18-14)13-4-2-12(16)3-5-13/h1-7H,8-9H2
InChIKeyHSVFOLYJRPPPDM-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 543980
CID 543980
CID 4337747
CID 4337747
CID 46838523
CID 46838523
CID 52942703
CID 52942703
CID 52943880
CID 52943880
CID 52947453
CID 52947453
CID 52949998
CID 52949998
CID 168294755
CID 168294755
CID 707548
CID 707548
CID 352915
CID 352915
CID 521357
CID 521357
CID 562369
CID 562369

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine (CID 4124439) is 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine is Fc1ccc(N2COc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
The InChIKey is HSVFOLYJRPPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-11-1-6-14-10(7-11)8-17(9-18-14)13-4-2-12(16)3-5-13/h1-7H,8-9H2.
What are the key properties of 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine?
6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine has a molecular weight of 263.70 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluorophenyl)-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 4124439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).