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

C14H11ClFNO — CID 116817450

IUPAC6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(-c2ccc3c(c2)NCCO3)cc1Cl
InChIInChI=1S/C14H11ClFNO/c15-11-7-9(1-3-12(11)16)10-2-4-14-13(8-10)17-5-6-18-14/h1-4,7-8,17H,5-6H2
InChIKeyPRGFALHFAOLOLU-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.95
Rot. Bonds1

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

6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116817450) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116817450
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc(-c2ccc3c(c2)NCCO3)cc1Cl
InChIInChI=1S/C14H11ClFNO/c15-11-7-9(1-3-12(11)16)10-2-4-14-13(8-10)17-5-6-18-14/h1-4,7-8,17H,5-6H2
InChIKeyPRGFALHFAOLOLU-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817431
6-(4-nitrophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817464
CID 89013099
CID 89013099
5,6-difluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 166065942
8,9,28,29-tetrafluoro-2,5,15,22-tetraoxa-12,25-diazatetracyclo[24.4.0.06,11.016,21]triaconta-1(30),6,8,10,16(21),17,19,26,28-nonaen-18-amine
CID 10028646
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82059333
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
7-fluoro-3,4-dihydro-2H-1,4-benzoxazine-6-carbaldehyde
CID 87510352
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indole
CID 116698435
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123650289
7-(3-chlorophenyl)-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
CID 162441455

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116817450) is 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc(-c2ccc3c(c2)NCCO3)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is PRGFALHFAOLOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-11-7-9(1-3-12(11)16)10-2-4-14-13(8-10)17-5-6-18-14/h1-4,7-8,17H,5-6H2.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 263.70 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116817450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).