1,3-difluoropropane-1,3-diol;iridium

C3H6F2IrO2 — CID 174140036

IUPAC1,3-difluoropropane-1,3-diol;iridium
SMILESOC(F)CC(O)F.[Ir]
InChIInChI=1S/C3H6F2O2.Ir/c4-2(6)1-3(5)7;/h2-3,6-7H,1H2;
InChIKeyHJVOLVDNBXLQFA-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.05
Rot. Bonds2

About 1,3-difluoropropane-1,3-diol;iridium

1,3-difluoropropane-1,3-diol;iridium (PubChem CID 174140036) has the molecular formula C3H6F2IrO2 and a molecular weight of 304.29 g/mol. Its IUPAC name is 1,3-difluoropropane-1,3-diol;iridium.

Molecular Properties

Compound Name1,3-difluoropropane-1,3-diol;iridium
PubChem CID174140036
Molecular FormulaC3H6F2IrO2
Molecular Weight304.29 g/mol
Exact Mass305.00
IUPAC Name1,3-difluoropropane-1,3-diol;iridium
SMILESOC(F)CC(O)F.[Ir]
InChIInChI=1S/C3H6F2O2.Ir/c4-2(6)1-3(5)7;/h2-3,6-7H,1H2;
InChIKeyHJVOLVDNBXLQFA-UHFFFAOYSA-N
XLogP-0.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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carbanide;1,2-difluoroethanol;rutherfordium
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CID 91101835
1,3,3,3-tetrafluoropropan-1-ol;hydrate
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(2R)-1,1-difluoro-4-methylpentan-2-ol
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1,2-difluoroethanol;methanesulfonic acid
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(3R,5R)-heptane-3,5-diol
CID 12641368
1-fluorobutan-1-ol;tetramethylazanium
CID 175292318
1-fluoroheptane-1,7-diol
CID 174774805
1,3-difluoropropan-2-ol
CID 159459555
1-fluoroethanol;rutherfordium
CID 58987118
1,2,3,4-tetrafluorobutane-1,4-diol
CID 22595048

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropane-1,3-diol;iridium?
The IUPAC name of 1,3-difluoropropane-1,3-diol;iridium (CID 174140036) is 1,3-difluoropropane-1,3-diol;iridium.
What is the SMILES notation for 1,3-difluoropropane-1,3-diol;iridium?
The canonical SMILES for 1,3-difluoropropane-1,3-diol;iridium is OC(F)CC(O)F.[Ir].
What is the InChIKey of 1,3-difluoropropane-1,3-diol;iridium?
The InChIKey is HJVOLVDNBXLQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O2.Ir/c4-2(6)1-3(5)7;/h2-3,6-7H,1H2;.
What are the key properties of 1,3-difluoropropane-1,3-diol;iridium?
1,3-difluoropropane-1,3-diol;iridium has a molecular weight of 304.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropane-1,3-diol;iridium is sourced from PubChem (CID 174140036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).