2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol

C13H14F7NO — CID 22734616

IUPAC2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
SMILESCCN(CCO)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H14F7NO/c1-2-21(7-8-22)10-5-3-9(4-6-10)11(14,12(15,16)17)13(18,19)20/h3-6,22H,2,7-8H2,1H3
InChIKeyPQWSOMHWNNUTHW-UHFFFAOYSA-N
MW333.25 g/mol
LogP3.79
Rot. Bonds5

About 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol

2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol (PubChem CID 22734616) has the molecular formula C13H14F7NO and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
PubChem CID22734616
Molecular FormulaC13H14F7NO
Molecular Weight333.25 g/mol
Exact Mass333.10
IUPAC Name2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
SMILESCCN(CCO)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C13H14F7NO/c1-2-21(7-8-22)10-5-3-9(4-6-10)11(14,12(15,16)17)13(18,19)20/h3-6,22H,2,7-8H2,1H3
InChIKeyPQWSOMHWNNUTHW-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
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2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-[4-(aminomethyl)-N-ethylanilino]ethanol
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(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
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6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
CID 102869200
2-[N-(2-hydroxyethyl)-4-[4-(trifluoromethyl)benzenecarboximidoyl]anilino]ethanol
CID 154649178
2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol
CID 71047580

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol (CID 22734616) is 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol is CCN(CCO)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol?
The InChIKey is PQWSOMHWNNUTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F7NO/c1-2-21(7-8-22)10-5-3-9(4-6-10)11(14,12(15,16)17)13(18,19)20/h3-6,22H,2,7-8H2,1H3.
What are the key properties of 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol?
2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol has a molecular weight of 333.25 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol is sourced from PubChem (CID 22734616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).