(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine

C12H14FNO — CID 135193067

IUPAC(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
SMILESFC1=C/CNC2=CCCC=C2OC/C=C\1
InChIInChI=1S/C12H14FNO/c13-10-4-3-9-15-12-6-2-1-5-11(12)14-8-7-10/h3-7,14H,1-2,8-9H2/b4-3-,10-7+
InChIKeyCDCWWJJVROGTMW-HQGAUJLMSA-N
MW207.25 g/mol
LogP2.58
Rot. Bonds

About (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine

(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine (PubChem CID 135193067) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
PubChem CID135193067
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
SMILESFC1=C/CNC2=CCCC=C2OC/C=C\1
InChIInChI=1S/C12H14FNO/c13-10-4-3-9-15-12-6-2-1-5-11(12)14-8-7-10/h3-7,14H,1-2,8-9H2/b4-3-,10-7+
InChIKeyCDCWWJJVROGTMW-HQGAUJLMSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
CID 135193068
3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
CID 135193079
8-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
CID 135193100
5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine
CID 157996314
7,8-difluoro-3-methyl-3,4,7,8-tetrahydro-2H-1,4-benzoxazine
CID 91663177
3,5-dihydro-2H-pyrano[3,2-b]pyridine
CID 21743766
3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 55300852
3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 57902506
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
1H-isochromeno[4,3-b]pyridine
CID 88809160
4-[(6-Methyl-1,2-dihydropyridin-3-yl)oxy]cyclohexa-2,4-dien-1-amine
CID 89639811

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine?
The IUPAC name of (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine (CID 135193067) is (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine.
What is the SMILES notation for (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine?
The canonical SMILES for (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine is FC1=C/CNC2=CCCC=C2OC/C=C\1.
What is the InChIKey of (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine?
The InChIKey is CDCWWJJVROGTMW-HQGAUJLMSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-4-3-9-15-12-6-2-1-5-11(12)14-8-7-10/h3-7,14H,1-2,8-9H2/b4-3-,10-7+.
What are the key properties of (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine?
(3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine has a molecular weight of 207.25 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-7,8,10,11-tetrahydro-2H-1,8-benzoxazecine is sourced from PubChem (CID 135193067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).