[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol

C19H19F4NO2 — CID 146669421

IUPAC[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol
SMILESOCc1ncc(OCc2ccc(C3CCCC3)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C19H19F4NO2/c20-17-8-14(9-24-18(17)10-25)26-11-12-5-6-15(13-3-1-2-4-13)16(7-12)19(21,22)23/h5-9,13,25H,1-4,10-11H2
InChIKeyUNZZFRPVUCWXKM-UHFFFAOYSA-N
MW369.36 g/mol
LogP4.97
Rot. Bonds5

About [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol

[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol (PubChem CID 146669421) has the molecular formula C19H19F4NO2 and a molecular weight of 369.36 g/mol. Its IUPAC name is [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol
PubChem CID146669421
Molecular FormulaC19H19F4NO2
Molecular Weight369.36 g/mol
Exact Mass369.14
IUPAC Name[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol
SMILESOCc1ncc(OCc2ccc(C3CCCC3)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C19H19F4NO2/c20-17-8-14(9-24-18(17)10-25)26-11-12-5-6-15(13-3-1-2-4-13)16(7-12)19(21,22)23/h5-9,13,25H,1-4,10-11H2
InChIKeyUNZZFRPVUCWXKM-UHFFFAOYSA-N
XLogP4.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol?
The IUPAC name of [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol (CID 146669421) is [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol is OCc1ncc(OCc2ccc(C3CCCC3)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol?
The InChIKey is UNZZFRPVUCWXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO2/c20-17-8-14(9-24-18(17)10-25)26-11-12-5-6-15(13-3-1-2-4-13)16(7-12)19(21,22)23/h5-9,13,25H,1-4,10-11H2.
What are the key properties of [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol?
[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol has a molecular weight of 369.36 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 146669421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).