2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol

C10H16F2O2 — CID 126663004

IUPAC2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol
SMILESCCC[C@@H]1OC(C2CC2O)CC1(F)F
InChIInChI=1S/C10H16F2O2/c1-2-3-9-10(11,12)5-8(14-9)6-4-7(6)13/h6-9,13H,2-5H2,1H3/t6?,7?,8?,9-/m0/s1
InChIKeyPMRMWKTVJCYXJY-BCZLUZIISA-N
MW206.23 g/mol
LogP1.96
Rot. Bonds3

About 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol

2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol (PubChem CID 126663004) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol
PubChem CID126663004
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol
SMILESCCC[C@@H]1OC(C2CC2O)CC1(F)F
InChIInChI=1S/C10H16F2O2/c1-2-3-9-10(11,12)5-8(14-9)6-4-7(6)13/h6-9,13H,2-5H2,1H3/t6?,7?,8?,9-/m0/s1
InChIKeyPMRMWKTVJCYXJY-BCZLUZIISA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol?
The IUPAC name of 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol (CID 126663004) is 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol?
The canonical SMILES for 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol is CCC[C@@H]1OC(C2CC2O)CC1(F)F.
What is the InChIKey of 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol?
The InChIKey is PMRMWKTVJCYXJY-BCZLUZIISA-N. The full InChI is InChI=1S/C10H16F2O2/c1-2-3-9-10(11,12)5-8(14-9)6-4-7(6)13/h6-9,13H,2-5H2,1H3/t6?,7?,8?,9-/m0/s1.
What are the key properties of 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol?
2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol has a molecular weight of 206.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-4,4-difluoro-5-propyloxolan-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 126663004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).