1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol

C7H8FNOS — CID 84766423

IUPAC1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol
SMILESOC1(c2ncc(CF)s2)CC1
InChIInChI=1S/C7H8FNOS/c8-3-5-4-9-6(11-5)7(10)1-2-7/h4,10H,1-3H2
InChIKeyAQSKFERBNYMQSL-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.59
Rot. Bonds2

About 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol

1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol (PubChem CID 84766423) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol
PubChem CID84766423
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol
SMILESOC1(c2ncc(CF)s2)CC1
InChIInChI=1S/C7H8FNOS/c8-3-5-4-9-6(11-5)7(10)1-2-7/h4,10H,1-3H2
InChIKeyAQSKFERBNYMQSL-UHFFFAOYSA-N
XLogP1.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol (CID 84766423) is 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol is OC1(c2ncc(CF)s2)CC1.
What is the InChIKey of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol?
The InChIKey is AQSKFERBNYMQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c8-3-5-4-9-6(11-5)7(10)1-2-7/h4,10H,1-3H2.
What are the key properties of 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol?
1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol has a molecular weight of 173.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 84766423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).