2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol

C7H13FO2 — CID 122239851

IUPAC2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol
SMILESOCC(F)(CO)CC1CC1
InChIInChI=1S/C7H13FO2/c8-7(4-9,5-10)3-6-1-2-6/h6,9-10H,1-5H2
InChIKeyHHTPEBSQADCGKZ-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.48
Rot. Bonds4

About 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol

2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol (PubChem CID 122239851) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol
PubChem CID122239851
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol
SMILESOCC(F)(CO)CC1CC1
InChIInChI=1S/C7H13FO2/c8-7(4-9,5-10)3-6-1-2-6/h6,9-10H,1-5H2
InChIKeyHHTPEBSQADCGKZ-UHFFFAOYSA-N
XLogP0.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol?
The IUPAC name of 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol (CID 122239851) is 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol.
What is the SMILES notation for 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol?
The canonical SMILES for 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol is OCC(F)(CO)CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol?
The InChIKey is HHTPEBSQADCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c8-7(4-9,5-10)3-6-1-2-6/h6,9-10H,1-5H2.
What are the key properties of 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol?
2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol has a molecular weight of 148.18 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-2-fluoropropane-1,3-diol is sourced from PubChem (CID 122239851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).