(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid

C6H8F2O3 — CID 176790380

IUPAC(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1OCC(F)F
InChIInChI=1S/C6H8F2O3/c7-5(8)2-11-4-1-3(4)6(9)10/h3-5H,1-2H2,(H,9,10)/t3-,4?/m0/s1
InChIKeyVBDDQXRCZCMMED-WUCPZUCCSA-N
MW166.12 g/mol
LogP0.74
Rot. Bonds4

About (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid

(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid (PubChem CID 176790380) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid
PubChem CID176790380
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1OCC(F)F
InChIInChI=1S/C6H8F2O3/c7-5(8)2-11-4-1-3(4)6(9)10/h3-5H,1-2H2,(H,9,10)/t3-,4?/m0/s1
InChIKeyVBDDQXRCZCMMED-WUCPZUCCSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid
CID 168737415
cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839
3-(2,2-difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099
3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol
CID 107942627
2-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 103260441
2-(difluoromethyl)cyclobutane-1-carboxylic acid
CID 71756472
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
3-(2,2-difluoroethoxy)-4-iodothiolane 1,1-dioxide
CID 114774770
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(3S,4S)-1-[3-(2,2-difluoroethoxy)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085463

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid (CID 176790380) is (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1CC1OCC(F)F.
What is the InChIKey of (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid?
The InChIKey is VBDDQXRCZCMMED-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-5(8)2-11-4-1-3(4)6(9)10/h3-5H,1-2H2,(H,9,10)/t3-,4?/m0/s1.
What are the key properties of (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid?
(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid has a molecular weight of 166.12 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 176790380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).