[4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol

C9H8F5NO2 — CID 14902012

IUPAC[4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol
SMILESOCc1cc(OCC(F)(F)C(F)(F)F)ccn1
InChIInChI=1S/C9H8F5NO2/c10-8(11,9(12,13)14)5-17-7-1-2-15-6(3-7)4-16/h1-3,16H,4-5H2
InChIKeyNRTSYEPWJOCNDQ-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.15
Rot. Bonds4

About [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol

[4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol (PubChem CID 14902012) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol
PubChem CID14902012
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name[4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol
SMILESOCc1cc(OCC(F)(F)C(F)(F)F)ccn1
InChIInChI=1S/C9H8F5NO2/c10-8(11,9(12,13)14)5-17-7-1-2-15-6(3-7)4-16/h1-3,16H,4-5H2
InChIKeyNRTSYEPWJOCNDQ-UHFFFAOYSA-N
XLogP2.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
3,5-Dimethyl-2-hydroxymethyl-4-methoxy-pyridine
CID 737823
4-(Pyridin-2-ylmethoxy)phenol
CID 43143359
Caerulomycin F
CID 25192237
4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol
CID 10465749
US9102622, 89.9 Hydrate form
CID 25019391
2-(Difluoromethyl)-4-phenoxypyridine
CID 168274925
6-Pyridin-3-yloxyhexan-1-ol
CID 13368809
Hydroxyhexyloxy pyridine
CID 22675429
4-(2,2,3,3,4,4,4-Heptafluorobutoxy)-1,2-dimethylpyridin-1-ium
CID 71343175
(4-Methoxy-pyridin-2-yl)-methanol
CID 10820596
(4-Methoxy-6-methylpyridin-2-yl)methanol
CID 13925676

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol (CID 14902012) is [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol is OCc1cc(OCC(F)(F)C(F)(F)F)ccn1.
What is the InChIKey of [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol?
The InChIKey is NRTSYEPWJOCNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c10-8(11,9(12,13)14)5-17-7-1-2-15-6(3-7)4-16/h1-3,16H,4-5H2.
What are the key properties of [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol?
[4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol has a molecular weight of 257.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 14902012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).