carbonic acid;1,2-difluoropropane-1,2-diol

C4H8F2O5 — CID 146624455

IUPACcarbonic acid;1,2-difluoropropane-1,2-diol
SMILESCC(O)(F)C(O)F.O=C(O)O
InChIInChI=1S/C3H6F2O2.CH2O3/c1-3(5,7)2(4)6;2-1(3)4/h2,6-7H,1H3;(H2,2,3,4)
InChIKeyLSCMTJAXXZQUMV-UHFFFAOYSA-N
MW174.10 g/mol
LogP0.17
Rot. Bonds1

About carbonic acid;1,2-difluoropropane-1,2-diol

carbonic acid;1,2-difluoropropane-1,2-diol (PubChem CID 146624455) has the molecular formula C4H8F2O5 and a molecular weight of 174.10 g/mol. Its IUPAC name is carbonic acid;1,2-difluoropropane-1,2-diol.

Molecular Properties

Compound Namecarbonic acid;1,2-difluoropropane-1,2-diol
PubChem CID146624455
Molecular FormulaC4H8F2O5
Molecular Weight174.10 g/mol
Exact Mass174.03
IUPAC Namecarbonic acid;1,2-difluoropropane-1,2-diol
SMILESCC(O)(F)C(O)F.O=C(O)O
InChIInChI=1S/C3H6F2O2.CH2O3/c1-3(5,7)2(4)6;2-1(3)4/h2,6-7H,1H3;(H2,2,3,4)
InChIKeyLSCMTJAXXZQUMV-UHFFFAOYSA-N
XLogP0.17
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-4,4,4-trifluoro-2,3-dihydroxy-3-methylbutanoic acid
CID 124668956
carbonic acid;2-methylpropan-2-ol
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2,3,3-trifluoro-2-methylpropanoic acid
CID 20511543
difluoromethanol;trifluoromethanol
CID 174795938
carbonic acid;fluoroform;indigane
CID 174753992
3-fluoro-2-hydroxy-2-methylbutanedioic acid
CID 141001148
2,2-difluoro-3-hydroxy-3-methylbutanoic acid
CID 10773173
(2S,3R)-2-(1,1-difluoroethyl)-3-hydroxybutanedioic acid
CID 10330351
2-fluoro-3-hydroxy-3,4-dimethylpentanoic acid
CID 79367172
carbamic acid;2,2-difluoro-3-methylbutane
CID 161455862
3,3,4,4,5,5-hexafluoro-2-hydroxypentanoic acid
CID 15312130
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,2-difluoropropane-1,2-diol?
The IUPAC name of carbonic acid;1,2-difluoropropane-1,2-diol (CID 146624455) is carbonic acid;1,2-difluoropropane-1,2-diol.
What is the SMILES notation for carbonic acid;1,2-difluoropropane-1,2-diol?
The canonical SMILES for carbonic acid;1,2-difluoropropane-1,2-diol is CC(O)(F)C(O)F.O=C(O)O.
What is the InChIKey of carbonic acid;1,2-difluoropropane-1,2-diol?
The InChIKey is LSCMTJAXXZQUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O2.CH2O3/c1-3(5,7)2(4)6;2-1(3)4/h2,6-7H,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,2-difluoropropane-1,2-diol?
carbonic acid;1,2-difluoropropane-1,2-diol has a molecular weight of 174.10 g/mol, XLogP of 0.17, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,2-difluoropropane-1,2-diol is sourced from PubChem (CID 146624455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).