2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol

C11H13F2NO — CID 10878500

IUPAC2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol
SMILESOCC(N=C(CF)CF)c1ccccc1
InChIInChI=1S/C11H13F2NO/c12-6-10(7-13)14-11(8-15)9-4-2-1-3-5-9/h1-5,11,15H,6-8H2
InChIKeyXRDPRGCECWMQAS-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.10
Rot. Bonds5

About 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol

2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol (PubChem CID 10878500) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol
PubChem CID10878500
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol
SMILESOCC(N=C(CF)CF)c1ccccc1
InChIInChI=1S/C11H13F2NO/c12-6-10(7-13)14-11(8-15)9-4-2-1-3-5-9/h1-5,11,15H,6-8H2
InChIKeyXRDPRGCECWMQAS-UHFFFAOYSA-N
XLogP2.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
2-Amino-2-phenylethan-1-ol
CID 134797
2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
beta-Amino-2,4-difluoro-benzeneethanol
CID 14853269
3-Amino-1,1,1-trifluoro-3-phenylpropan-2-ol hydrochloride
CID 42933722
2-Amino-2-(3-fluorophenyl)ethan-1-ol hydrochloride
CID 54593657
2-Amino-2-[2-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride
CID 66672034
(S)-2-Amino-2-(4-fluorophenyl)ethanol hydrochloride
CID 67033232
(S)-2-Amino-2-(2-fluorophenyl)ethanol hydrochloride
CID 67033930
2-Amino-2-[4-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride
CID 69163306
(R)-2-Amino-2-(2-fluorophenyl)ethanol hydrochloride
CID 122173420

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol?
The IUPAC name of 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol (CID 10878500) is 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol.
What is the SMILES notation for 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol?
The canonical SMILES for 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol is OCC(N=C(CF)CF)c1ccccc1.
What is the InChIKey of 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol?
The InChIKey is XRDPRGCECWMQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-6-10(7-13)14-11(8-15)9-4-2-1-3-5-9/h1-5,11,15H,6-8H2.
What are the key properties of 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol?
2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol has a molecular weight of 213.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoropropan-2-ylideneamino)-2-phenylethanol is sourced from PubChem (CID 10878500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).