3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol

C6H10F2O — CID 129407915

IUPAC3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
SMILESOCCC[C@@H]1CC1(F)F
InChIInChI=1S/C6H10F2O/c7-6(8)4-5(6)2-1-3-9/h5,9H,1-4H2/t5-/m1/s1
InChIKeySRIWUMJIBUJDFP-RXMQYKEDSA-N
MW136.14 g/mol
LogP1.41
Rot. Bonds3

About 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol

3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol (PubChem CID 129407915) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
PubChem CID129407915
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
SMILESOCCC[C@@H]1CC1(F)F
InChIInChI=1S/C6H10F2O/c7-6(8)4-5(6)2-1-3-9/h5,9H,1-4H2/t5-/m1/s1
InChIKeySRIWUMJIBUJDFP-RXMQYKEDSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol?
The IUPAC name of 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol (CID 129407915) is 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol.
What is the SMILES notation for 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol?
The canonical SMILES for 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol is OCCC[C@@H]1CC1(F)F.
What is the InChIKey of 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol?
The InChIKey is SRIWUMJIBUJDFP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10F2O/c7-6(8)4-5(6)2-1-3-9/h5,9H,1-4H2/t5-/m1/s1.
What are the key properties of 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol?
3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol has a molecular weight of 136.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol is sourced from PubChem (CID 129407915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).