2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid

C8H11F3O3 — CID 82953620

IUPAC2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid
SMILESO=C(O)C(OCCC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)3-4-14-6(7(12)13)5-1-2-5/h5-6H,1-4H2,(H,12,13)
InChIKeyJYFZVBHTDRLSBL-UHFFFAOYSA-N
MW212.17 g/mol
LogP1.82
Rot. Bonds5

About 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid

2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid (PubChem CID 82953620) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid
PubChem CID82953620
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid
SMILESO=C(O)C(OCCC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)3-4-14-6(7(12)13)5-1-2-5/h5-6H,1-4H2,(H,12,13)
InChIKeyJYFZVBHTDRLSBL-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(2-cyclopropylethoxy)acetic acid
CID 106199301
(2S)-2-(3,3,3-trifluoropropoxy)propanoic acid
CID 104876409
2-cycloheptyl-2-(3-hydroxypropoxy)acetic acid
CID 83224076
2-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)propanoic acid
CID 82956739
2-cyclopropyl-2-(4,4,4-trifluorobutylamino)acetic acid
CID 115514640
2-cyclopropyl-2-(2-methylpentoxy)acetic acid
CID 103282788
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
3,3,3-trifluoropropyl carbamate
CID 3768992
1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one
CID 116750907
1,3-difluoro-1-(3,3,3-trifluoropropoxy)propan-2-ol
CID 175408195
2-ethoxy-2-(thiolan-3-yl)acetic acid
CID 107133941
(2S)-2-cyclopentyl-2-[2-[(2S)-2-cyclopropyloxyhexanoyl]oxyethoxy]acetic acid
CID 170444468

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid (CID 82953620) is 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid is O=C(O)C(OCCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid?
The InChIKey is JYFZVBHTDRLSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)3-4-14-6(7(12)13)5-1-2-5/h5-6H,1-4H2,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid?
2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid has a molecular weight of 212.17 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,3,3-trifluoropropoxy)acetic acid is sourced from PubChem (CID 82953620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).