(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol

C14H16F3NO — CID 144927632

IUPAC(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol
SMILESC=C/N=C(\C)C(F)(F)[C@@](C)(O)c1ccc(F)cc1C
InChIInChI=1S/C14H16F3NO/c1-5-18-10(3)14(16,17)13(4,19)12-7-6-11(15)8-9(12)2/h5-8,19H,1H2,2-4H3/b18-10+/t13-/m0/s1
InChIKeyOUDQJFUMWPYVDS-SGPNVBEDSA-N
MW271.28 g/mol
LogP3.58
Rot. Bonds4

About (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol

(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol (PubChem CID 144927632) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol
PubChem CID144927632
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol
SMILESC=C/N=C(\C)C(F)(F)[C@@](C)(O)c1ccc(F)cc1C
InChIInChI=1S/C14H16F3NO/c1-5-18-10(3)14(16,17)13(4,19)12-7-6-11(15)8-9(12)2/h5-8,19H,1H2,2-4H3/b18-10+/t13-/m0/s1
InChIKeyOUDQJFUMWPYVDS-SGPNVBEDSA-N
XLogP3.58
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol?
The IUPAC name of (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol (CID 144927632) is (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol.
What is the SMILES notation for (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol?
The canonical SMILES for (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol is C=C/N=C(\C)C(F)(F)[C@@](C)(O)c1ccc(F)cc1C.
What is the InChIKey of (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol?
The InChIKey is OUDQJFUMWPYVDS-SGPNVBEDSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-5-18-10(3)14(16,17)13(4,19)12-7-6-11(15)8-9(12)2/h5-8,19H,1H2,2-4H3/b18-10+/t13-/m0/s1.
What are the key properties of (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol?
(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol has a molecular weight of 271.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol is sourced from PubChem (CID 144927632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).