CID 166073038

C18H30F3NOSi- — CID 166073038

IUPAC—
SMILESCCC(O[Si-](CC)(CC)CC)C(F)(F)c1cccc([C@@H](C)N)c1F
InChIInChI=1S/C18H30F3NOSi/c1-6-16(23-24(7-2,8-3)9-4)18(20,21)15-12-10-11-14(13(5)22)17(15)19/h10-13,16H,6-9,22H2,1-5H3/q-1/t13-,16?/m1/s1
InChIKeyUBHVJMNQZSQLTP-JBZHPUCOSA-N
MW361.52 g/mol
LogP5.74
Rot. Bonds9

About CID 166073038

CID 166073038 (PubChem CID 166073038) has the molecular formula C18H30F3NOSi- and a molecular weight of 361.52 g/mol.

Molecular Properties

Compound NameCID 166073038
PubChem CID166073038
Molecular FormulaC18H30F3NOSi-
Molecular Weight361.52 g/mol
Exact Mass361.21
IUPAC Name—
SMILESCCC(O[Si-](CC)(CC)CC)C(F)(F)c1cccc([C@@H](C)N)c1F
InChIInChI=1S/C18H30F3NOSi/c1-6-16(23-24(7-2,8-3)9-4)18(20,21)15-12-10-11-14(13(5)22)17(15)19/h10-13,16H,6-9,22H2,1-5H3/q-1/t13-,16?/m1/s1
InChIKeyUBHVJMNQZSQLTP-JBZHPUCOSA-N
XLogP5.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.52
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
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1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
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(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine;hydrochloride
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1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of CID 166073038?
The IUPAC name of CID 166073038 (CID 166073038) is not available.
What is the SMILES notation for CID 166073038?
The canonical SMILES for CID 166073038 is CCC(O[Si-](CC)(CC)CC)C(F)(F)c1cccc([C@@H](C)N)c1F.
What is the InChIKey of CID 166073038?
The InChIKey is UBHVJMNQZSQLTP-JBZHPUCOSA-N. The full InChI is InChI=1S/C18H30F3NOSi/c1-6-16(23-24(7-2,8-3)9-4)18(20,21)15-12-10-11-14(13(5)22)17(15)19/h10-13,16H,6-9,22H2,1-5H3/q-1/t13-,16?/m1/s1.
What are the key properties of CID 166073038?
CID 166073038 has a molecular weight of 361.52 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166073038 is sourced from PubChem (CID 166073038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).