(2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol

C11H13F2NO — CID 125466252

IUPAC(2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol
SMILESC/C(=N\[C@H](CO)c1ccccc1)C(F)F
InChIInChI=1S/C11H13F2NO/c1-8(11(12)13)14-10(7-15)9-5-3-2-4-6-9/h2-6,10-11,15H,7H2,1H3/b14-8+/t10-/m1/s1
InChIKeyCSJCPCFNHOIUEU-WWNSAXIVSA-N
MW213.23 g/mol
LogP2.45
Rot. Bonds4

About (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol

(2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol (PubChem CID 125466252) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol
PubChem CID125466252
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol
SMILESC/C(=N\[C@H](CO)c1ccccc1)C(F)F
InChIInChI=1S/C11H13F2NO/c1-8(11(12)13)14-10(7-15)9-5-3-2-4-6-9/h2-6,10-11,15H,7H2,1H3/b14-8+/t10-/m1/s1
InChIKeyCSJCPCFNHOIUEU-WWNSAXIVSA-N
XLogP2.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.45
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)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol (CID 125466252) is (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol is C/C(=N\[C@H](CO)c1ccccc1)C(F)F.
What is the InChIKey of (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol?
The InChIKey is CSJCPCFNHOIUEU-WWNSAXIVSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-8(11(12)13)14-10(7-15)9-5-3-2-4-6-9/h2-6,10-11,15H,7H2,1H3/b14-8+/t10-/m1/s1.
What are the key properties of (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol?
(2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol has a molecular weight of 213.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,1-difluoropropan-2-ylideneamino)-2-phenylethanol is sourced from PubChem (CID 125466252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).