2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid

C10H18FNO2 — CID 105455439

IUPAC2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid
SMILESCC(C)N1CCCC(C(F)C(=O)O)C1
InChIInChI=1S/C10H18FNO2/c1-7(2)12-5-3-4-8(6-12)9(11)10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyBTINHZOYDNFBOM-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds3

About 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid

2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid (PubChem CID 105455439) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid
PubChem CID105455439
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid
SMILESCC(C)N1CCCC(C(F)C(=O)O)C1
InChIInChI=1S/C10H18FNO2/c1-7(2)12-5-3-4-8(6-12)9(11)10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyBTINHZOYDNFBOM-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid (CID 105455439) is 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid is CC(C)N1CCCC(C(F)C(=O)O)C1.
What is the InChIKey of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid?
The InChIKey is BTINHZOYDNFBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-7(2)12-5-3-4-8(6-12)9(11)10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid?
2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid has a molecular weight of 203.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-propan-2-ylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 105455439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).