pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid

C14H17F5O2 — CID 175181509

IUPACpentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid
SMILESCCCCC.O=C(O)C(F)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C9H5F5O2.C5H12/c10-6-4-2-1-3-5(6)8(11,7(15)16)9(12,13)14;1-3-5-4-2/h1-4H,(H,15,16);3-5H2,1-2H3
InChIKeyFXTPLRIINTZHJQ-UHFFFAOYSA-N
MW312.28 g/mol
LogP4.83
Rot. Bonds4

About pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid

pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid (PubChem CID 175181509) has the molecular formula C14H17F5O2 and a molecular weight of 312.28 g/mol. Its IUPAC name is pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Namepentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid
PubChem CID175181509
Molecular FormulaC14H17F5O2
Molecular Weight312.28 g/mol
Exact Mass312.11
IUPAC Namepentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid
SMILESCCCCC.O=C(O)C(F)(c1ccccc1F)C(F)(F)F
InChIInChI=1S/C9H5F5O2.C5H12/c10-6-4-2-1-3-5(6)8(11,7(15)16)9(12,13)14;1-3-5-4-2/h1-4H,(H,15,16);3-5H2,1-2H3
InChIKeyFXTPLRIINTZHJQ-UHFFFAOYSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
CID 84736706
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-(diethylamino)-2-(2-fluorophenyl)butanoic acid
CID 112679517
2-ethoxycarbonyl-2-(2-fluorophenyl)-4-methylpentanoic acid
CID 103974974
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
pentane;2,2,2-trifluoroacetic acid
CID 161039566
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602

Frequently Asked Questions

What is the IUPAC name of pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid (CID 175181509) is pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid is CCCCC.O=C(O)C(F)(c1ccccc1F)C(F)(F)F.
What is the InChIKey of pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid?
The InChIKey is FXTPLRIINTZHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O2.C5H12/c10-6-4-2-1-3-5(6)8(11,7(15)16)9(12,13)14;1-3-5-4-2/h1-4H,(H,15,16);3-5H2,1-2H3.
What are the key properties of pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid?
pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid has a molecular weight of 312.28 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 175181509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).