fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane

C18H21F2NO — CID 145153970

IUPACfluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane
SMILESC.CC1(C)ON=Cc2ccc(-c3ccc(F)cc3)cc21.CF
InChIInChI=1S/C16H14FNO.CH3F.CH4/c1-16(2)15-9-12(3-4-13(15)10-18-19-16)11-5-7-14(17)8-6-11;1-2;/h3-10H,1-2H3;1H3;1H4
InChIKeySFBKSPMHMXSEAX-UHFFFAOYSA-N
MW305.37 g/mol
LogP5.31
Rot. Bonds1

About fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane

fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane (PubChem CID 145153970) has the molecular formula C18H21F2NO and a molecular weight of 305.37 g/mol. Its IUPAC name is fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane.

Molecular Properties

Compound Namefluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane
PubChem CID145153970
Molecular FormulaC18H21F2NO
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namefluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane
SMILESC.CC1(C)ON=Cc2ccc(-c3ccc(F)cc3)cc21.CF
InChIInChI=1S/C16H14FNO.CH3F.CH4/c1-16(2)15-9-12(3-4-13(15)10-18-19-16)11-5-7-14(17)8-6-11;1-2;/h3-10H,1-2H3;1H3;1H4
InChIKeySFBKSPMHMXSEAX-UHFFFAOYSA-N
XLogP5.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane with MolForge

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

Launch Full Analysis

Related Compounds

1-chloro-3,4-dihydro-2-naphthalenecarbaldehyde O-(4-methylbenzyl)oxime
CID 9633072
(5S)-5-naphthalen-2-yl-3-phenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 166442990
2-Naphthaldehyde-O-benzyloxime
CID 52551221
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-(2-phenylphenyl)methanimine
CID 56681879
2,5-Dimethylbenzaldehyde O-pentafluorophenylmethyl-oxime
CID 91727564
o-Tolualdehyde O-pentafluorophenylmethyl-oxime
CID 91727711
(E)-N-methoxy-2-methylidene-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]butan-1-imine
CID 59030235
(Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 59934418
(Z)-1-(3,4-dimethylphenyl)-N-[(3-fluorophenyl)methoxy]ethanimine
CID 59934420
N-methoxy-2-methylidene-1-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]butan-1-imine
CID 72494448
1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 72599778
1-(3,4-dimethylphenyl)-N-[(3-fluorophenyl)methoxy]ethanimine
CID 72599780

Frequently Asked Questions

What is the IUPAC name of fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane?
The IUPAC name of fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane (CID 145153970) is fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane.
What is the SMILES notation for fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane?
The canonical SMILES for fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane is C.CC1(C)ON=Cc2ccc(-c3ccc(F)cc3)cc21.CF.
What is the InChIKey of fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane?
The InChIKey is SFBKSPMHMXSEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO.CH3F.CH4/c1-16(2)15-9-12(3-4-13(15)10-18-19-16)11-5-7-14(17)8-6-11;1-2;/h3-10H,1-2H3;1H3;1H4.
What are the key properties of fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane?
fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane has a molecular weight of 305.37 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;7-(4-fluorophenyl)-1,1-dimethyl-2,3-benzoxazine;methane is sourced from PubChem (CID 145153970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).