[6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol

C16H14F6N2O2 — CID 99792062

IUPAC[6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol
SMILESOCc1cccc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F6N2O2/c17-14(15(18,19)20)16(21,22)26-12-6-4-10(5-7-12)8-23-13-3-1-2-11(9-25)24-13/h1-7,14,25H,8-9H2,(H,23,24)/t14-/m1/s1
InChIKeyKCJFZPXWMJCVAO-CQSZACIVSA-N
MW380.29 g/mol
LogP4.06
Rot. Bonds7

About [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol

[6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol (PubChem CID 99792062) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol
PubChem CID99792062
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC Name[6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol
SMILESOCc1cccc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F6N2O2/c17-14(15(18,19)20)16(21,22)26-12-6-4-10(5-7-12)8-23-13-3-1-2-11(9-25)24-13/h1-7,14,25H,8-9H2,(H,23,24)/t14-/m1/s1
InChIKeyKCJFZPXWMJCVAO-CQSZACIVSA-N
XLogP4.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol?
The IUPAC name of [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol (CID 99792062) is [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol?
The canonical SMILES for [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol is OCc1cccc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)n1.
What is the InChIKey of [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol?
The InChIKey is KCJFZPXWMJCVAO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c17-14(15(18,19)20)16(21,22)26-12-6-4-10(5-7-12)8-23-13-3-1-2-11(9-25)24-13/h1-7,14,25H,8-9H2,(H,23,24)/t14-/m1/s1.
What are the key properties of [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol?
[6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol has a molecular weight of 380.29 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methylamino]-2-pyridinyl]methanol is sourced from PubChem (CID 99792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).