[(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol

C9H10F2N2O — CID 167229266

IUPAC[(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol
SMILESCc1ccnc([C@@H]2[C@@H](CO)C2(F)F)n1
InChIInChI=1S/C9H10F2N2O/c1-5-2-3-12-8(13-5)7-6(4-14)9(7,10)11/h2-3,6-7,14H,4H2,1H3/t6-,7+/m1/s1
InChIKeyGYXKHHSFZPVTOH-RQJHMYQMSA-N
MW200.19 g/mol
LogP1.13
Rot. Bonds2

About [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol

[(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol (PubChem CID 167229266) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol
PubChem CID167229266
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name[(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol
SMILESCc1ccnc([C@@H]2[C@@H](CO)C2(F)F)n1
InChIInChI=1S/C9H10F2N2O/c1-5-2-3-12-8(13-5)7-6(4-14)9(7,10)11/h2-3,6-7,14H,4H2,1H3/t6-,7+/m1/s1
InChIKeyGYXKHHSFZPVTOH-RQJHMYQMSA-N
XLogP1.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol?
The IUPAC name of [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol (CID 167229266) is [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol?
The canonical SMILES for [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol is Cc1ccnc([C@@H]2[C@@H](CO)C2(F)F)n1.
What is the InChIKey of [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol?
The InChIKey is GYXKHHSFZPVTOH-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5-2-3-12-8(13-5)7-6(4-14)9(7,10)11/h2-3,6-7,14H,4H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol?
[(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol has a molecular weight of 200.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropyl]methanol is sourced from PubChem (CID 167229266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).