1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol

C11H11F5O2 — CID 61100045

IUPAC1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESCCOc1ccc(C(O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H11F5O2/c1-2-18-8-5-3-7(4-6-8)9(17)10(12,13)11(14,15)16/h3-6,9,17H,2H2,1H3
InChIKeyLSHVBIKYNPFXNP-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.32
Rot. Bonds4

About 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol

1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 61100045) has the molecular formula C11H11F5O2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID61100045
Molecular FormulaC11H11F5O2
Molecular Weight270.20 g/mol
Exact Mass270.07
IUPAC Name1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESCCOc1ccc(C(O)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H11F5O2/c1-2-18-8-5-3-7(4-6-8)9(17)10(12,13)11(14,15)16/h3-6,9,17H,2H2,1H3
InChIKeyLSHVBIKYNPFXNP-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769720
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
amino-(4-ethoxyphenyl)methanol
CID 116939610
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
(4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105092058
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
ethyl (3S)-3-amino-3-(4-ethoxyphenyl)-2,2-difluoropropanoate
CID 171246535
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol (CID 61100045) is 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol is CCOc1ccc(C(O)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is LSHVBIKYNPFXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5O2/c1-2-18-8-5-3-7(4-6-8)9(17)10(12,13)11(14,15)16/h3-6,9,17H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol?
1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 270.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 61100045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).