4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid

C10H17FO3 — CID 22564575

IUPAC4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CC1CCC(F)CC1
InChIInChI=1S/C10H17FO3/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h7-9,12H,1-6H2,(H,13,14)
InChIKeyZZSPHHFZTLEXSD-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.74
Rot. Bonds4

About 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid

4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid (PubChem CID 22564575) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid
PubChem CID22564575
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CC1CCC(F)CC1
InChIInChI=1S/C10H17FO3/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h7-9,12H,1-6H2,(H,13,14)
InChIKeyZZSPHHFZTLEXSD-UHFFFAOYSA-N
XLogP1.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid?
The IUPAC name of 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid (CID 22564575) is 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid is O=C(O)CC(O)CC1CCC(F)CC1.
What is the InChIKey of 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid?
The InChIKey is ZZSPHHFZTLEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h7-9,12H,1-6H2,(H,13,14).
What are the key properties of 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid?
4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid has a molecular weight of 204.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexyl)-3-hydroxybutanoic acid is sourced from PubChem (CID 22564575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).