[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol

C10H12F3NO2 — CID 105067211

IUPAC[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol
SMILESOCc1ccncc1OCCCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)3-1-5-16-9-6-14-4-2-8(9)7-15/h2,4,6,15H,1,3,5,7H2
InChIKeyHRCSMOSSWUDGRD-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.30
Rot. Bonds5

About [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol

[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol (PubChem CID 105067211) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol
PubChem CID105067211
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol
SMILESOCc1ccncc1OCCCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)3-1-5-16-9-6-14-4-2-8(9)7-15/h2,4,6,15H,1,3,5,7H2
InChIKeyHRCSMOSSWUDGRD-UHFFFAOYSA-N
XLogP2.30
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
CID 105067216
(3-but-3-enoxy-4-pyridinyl)methanol
CID 105067106
[3-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 105067127
8-(4,4,4-trifluorobutoxy)isoquinolin-5-amine
CID 103140102
3-(4,4,4-trifluorobutoxy)pyridine
CID 112558625
[3-(cyclopentylmethoxy)-4-pyridinyl]methanol
CID 105067194
[4-(3-methoxy-3-methylbutoxy)-3-pyridinyl]methanol
CID 106666377
2-amino-3-(4,4,4-trifluorobutoxy)phenol
CID 114764271
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
CID 105067190
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
4-(4,4,4-trifluorobutoxy)quinolin-8-amine
CID 83060485
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136

Frequently Asked Questions

What is the IUPAC name of [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol?
The IUPAC name of [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol (CID 105067211) is [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol?
The canonical SMILES for [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol is OCc1ccncc1OCCCC(F)(F)F.
What is the InChIKey of [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol?
The InChIKey is HRCSMOSSWUDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)3-1-5-16-9-6-14-4-2-8(9)7-15/h2,4,6,15H,1,3,5,7H2.
What are the key properties of [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol?
[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol has a molecular weight of 235.20 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 105067211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).