(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate

C5H6F2O3 — CID 67900975

IUPAC(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate
SMILESCC1(OC(=O)O)CC1(F)F
InChIInChI=1S/C5H6F2O3/c1-4(10-3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChIKeyWHGNCQCERUIEBL-UHFFFAOYSA-N
MW152.10 g/mol
LogP1.48
Rot. Bonds1

About (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate

(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate (PubChem CID 67900975) has the molecular formula C5H6F2O3 and a molecular weight of 152.10 g/mol. Its IUPAC name is (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate.

Molecular Properties

Compound Name(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate
PubChem CID67900975
Molecular FormulaC5H6F2O3
Molecular Weight152.10 g/mol
Exact Mass152.03
IUPAC Name(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate
SMILESCC1(OC(=O)O)CC1(F)F
InChIInChI=1S/C5H6F2O3/c1-4(10-3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)
InChIKeyWHGNCQCERUIEBL-UHFFFAOYSA-N
XLogP1.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
(3,5,7-tricarboxyoxy-1-adamantyl) hydrogen carbonate
CID 70118338
bis(2,2-difluoro-1-methylcyclopropyl)methanone
CID 19098833
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate
CID 70662194
2,2-difluoro-1-methoxycarbonylcyclopropane-1-carboxylic acid
CID 54275810
ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
CID 92980111
[(1S)-2,2-difluoro-1-methylcyclopropyl]methanol
CID 92980110
(2,2-dichloro-1-methylcyclopropyl) carbonochloridate
CID 88727428
(1-aminocyclopropyl) hydrogen carbonate
CID 23070284
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
trans-methyl (1S,2S)-2-chloro-2,3,3-trifluoro-1-methylcyclobutane-1-carboxylate
CID 26596648

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate?
The IUPAC name of (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate (CID 67900975) is (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate.
What is the SMILES notation for (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate?
The canonical SMILES for (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate is CC1(OC(=O)O)CC1(F)F.
What is the InChIKey of (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate?
The InChIKey is WHGNCQCERUIEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O3/c1-4(10-3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9).
What are the key properties of (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate?
(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate has a molecular weight of 152.10 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate is sourced from PubChem (CID 67900975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).