5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine

C8H7F3N2 — CID 67951124

IUPAC5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine
SMILESFC(F)(F)[C@H]1C[C@@H]1c1cncnc1
InChIInChI=1S/C8H7F3N2/c9-8(10,11)7-1-6(7)5-2-12-4-13-3-5/h2-4,6-7H,1H2/t6-,7+/m1/s1
InChIKeyMFKFEIXFMGENLL-RQJHMYQMSA-N
MW188.15 g/mol
LogP2.14
Rot. Bonds1

About 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine

5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine (PubChem CID 67951124) has the molecular formula C8H7F3N2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine.

Molecular Properties

Compound Name5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine
PubChem CID67951124
Molecular FormulaC8H7F3N2
Molecular Weight188.15 g/mol
Exact Mass188.06
IUPAC Name5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine
SMILESFC(F)(F)[C@H]1C[C@@H]1c1cncnc1
InChIInChI=1S/C8H7F3N2/c9-8(10,11)7-1-6(7)5-2-12-4-13-3-5/h2-4,6-7H,1H2/t6-,7+/m1/s1
InChIKeyMFKFEIXFMGENLL-RQJHMYQMSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine?
The IUPAC name of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine (CID 67951124) is 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine.
What is the SMILES notation for 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine?
The canonical SMILES for 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine is FC(F)(F)[C@H]1C[C@@H]1c1cncnc1.
What is the InChIKey of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine?
The InChIKey is MFKFEIXFMGENLL-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H7F3N2/c9-8(10,11)7-1-6(7)5-2-12-4-13-3-5/h2-4,6-7H,1H2/t6-,7+/m1/s1.
What are the key properties of 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine?
5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine has a molecular weight of 188.15 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyrimidine is sourced from PubChem (CID 67951124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).