(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid

C6H9FO2 — CID 155897633

IUPAC(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CC1F
InChIInChI=1S/C6H9FO2/c1-2-6(5(8)9)3-4(6)7/h4H,2-3H2,1H3,(H,8,9)/t4?,6-/m1/s1
InChIKeyXUWLDAPAGCAOMG-BAFYGKSASA-N
MW132.13 g/mol
LogP1.21
Rot. Bonds2

About (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid

(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid (PubChem CID 155897633) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
PubChem CID155897633
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CC1F
InChIInChI=1S/C6H9FO2/c1-2-6(5(8)9)3-4(6)7/h4H,2-3H2,1H3,(H,8,9)/t4?,6-/m1/s1
InChIKeyXUWLDAPAGCAOMG-BAFYGKSASA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 29846
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CID 42626120
2-(1-Methylcyclopropyl)acetic acid
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1-Ethylcyclopropane-1-carboxylic acid
CID 21960707
2-Fluoro-1-methylcyclopropane-1-carboxylic acid
CID 14699638
1-Ethyl-2,2-difluorocyclopropane-1-carboxylic acid
CID 137698959
1-(Propan-2-yl)cyclopropane-1-carboxylic acid
CID 13707487
1-(2,2-Difluoroethyl)cyclopropane-1-carboxylic acid
CID 79426270
1-(2-Fluoroethyl)cyclopropane-1-carboxylic acid
CID 80697265
1-(Fluoromethyl)cyclopropane-1-carboxylic acid
CID 83814974
1-(1,1-Difluoroethyl)cyclopropane-1-carboxylic acid
CID 84649352

Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid (CID 155897633) is (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid is CC[C@@]1(C(=O)O)CC1F.
What is the InChIKey of (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid?
The InChIKey is XUWLDAPAGCAOMG-BAFYGKSASA-N. The full InChI is InChI=1S/C6H9FO2/c1-2-6(5(8)9)3-4(6)7/h4H,2-3H2,1H3,(H,8,9)/t4?,6-/m1/s1.
What are the key properties of (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid?
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid has a molecular weight of 132.13 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 155897633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).