2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine

C16H13F4N — CID 143474420

IUPAC2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine
SMILESCc1ccc(C2(c3cc(F)cc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C16H13F4N/c1-10-2-3-14(21-9-10)15(4-5-15)11-6-12(16(18,19)20)8-13(17)7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyVLMNJPHMOSGVKM-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.63
Rot. Bonds2

About 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine

2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine (PubChem CID 143474420) has the molecular formula C16H13F4N and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine
PubChem CID143474420
Molecular FormulaC16H13F4N
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine
SMILESCc1ccc(C2(c3cc(F)cc(C(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C16H13F4N/c1-10-2-3-14(21-9-10)15(4-5-15)11-6-12(16(18,19)20)8-13(17)7-11/h2-3,6-9H,4-5H2,1H3
InChIKeyVLMNJPHMOSGVKM-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine?
The IUPAC name of 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine (CID 143474420) is 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine.
What is the SMILES notation for 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine?
The canonical SMILES for 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine is Cc1ccc(C2(c3cc(F)cc(C(F)(F)F)c3)CC2)nc1.
What is the InChIKey of 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine?
The InChIKey is VLMNJPHMOSGVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N/c1-10-2-3-14(21-9-10)15(4-5-15)11-6-12(16(18,19)20)8-13(17)7-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine?
2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine has a molecular weight of 295.28 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]-5-methylpyridine is sourced from PubChem (CID 143474420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).