CID 58450215

C12H14F3NO — CID 58450215

IUPAC—
SMILES[CH]OC(c1ccc(CN(C)C)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-16(2)8-9-4-6-10(7-5-9)11(17-3)12(13,14)15/h3-7,11H,8H2,1-2H3
InChIKeyZTIQGPWTLQSRCW-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.04
Rot. Bonds4

About CID 58450215

CID 58450215 (PubChem CID 58450215) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol.

Molecular Properties

Compound NameCID 58450215
PubChem CID58450215
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name—
SMILES[CH]OC(c1ccc(CN(C)C)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-16(2)8-9-4-6-10(7-5-9)11(17-3)12(13,14)15/h3-7,11H,8H2,1-2H3
InChIKeyZTIQGPWTLQSRCW-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-Fluoro-4-(methoxymethyl)phenyl]methanamine
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CID 53276180
1-(Azidomethyl)-4-(3,3,3-trifluoro-1-methoxypropyl)benzene
CID 178336697
1-methoxy-N,N-dimethyl-1-phenylmethanamine
CID 116914419
1-[[2-(2,2,2-Trifluoro-1-methoxyethyl)phenyl]methyl]pyrrolidine
CID 85885268
Magnesium, chloro(alpha-(dimethylamino)-4-(trifluoromethyl)benzenemethanolato-kappaO)-
CID 117009
Morpholine, 4-(1-methylethyl)-2-[4-(trifluoromethyl)phenyl]-
CID 71915
2-ethoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 10001785
beta-Methoxy-N-methyl-N-[[2'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-benzeneethanamine
CID 10431038
1-[[4-[3-[Methoxy-(2,3,4-trifluorophenyl)methyl]cyclobutyl]phenyl]methyl]pyrrolidine
CID 21934888
1-[[4-[3-[(3,5-Difluorophenyl)-methoxymethyl]cyclobutyl]phenyl]methyl]pyrrolidine
CID 21934922

Frequently Asked Questions

What is the IUPAC name of CID 58450215?
The IUPAC name of CID 58450215 (CID 58450215) is not available.
What is the SMILES notation for CID 58450215?
The canonical SMILES for CID 58450215 is [CH]OC(c1ccc(CN(C)C)cc1)C(F)(F)F.
What is the InChIKey of CID 58450215?
The InChIKey is ZTIQGPWTLQSRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-16(2)8-9-4-6-10(7-5-9)11(17-3)12(13,14)15/h3-7,11H,8H2,1-2H3.
What are the key properties of CID 58450215?
CID 58450215 has a molecular weight of 245.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450215 is sourced from PubChem (CID 58450215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).