2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid

C14H17FO2 — CID 117344925

IUPAC2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(CCCF)cc2)CC1
InChIInChI=1S/C14H17FO2/c15-9-1-2-11-3-5-12(6-4-11)14(7-8-14)10-13(16)17/h3-6H,1-2,7-10H2,(H,16,17)
InChIKeyYMXCZUIXXQVWHA-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.10
Rot. Bonds6

About 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid

2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid (PubChem CID 117344925) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
PubChem CID117344925
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(CCCF)cc2)CC1
InChIInChI=1S/C14H17FO2/c15-9-1-2-11-3-5-12(6-4-11)14(7-8-14)10-13(16)17/h3-6H,1-2,7-10H2,(H,16,17)
InChIKeyYMXCZUIXXQVWHA-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid (CID 117344925) is 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(CCCF)cc2)CC1.
What is the InChIKey of 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid?
The InChIKey is YMXCZUIXXQVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-9-1-2-11-3-5-12(6-4-11)14(7-8-14)10-13(16)17/h3-6H,1-2,7-10H2,(H,16,17).
What are the key properties of 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid has a molecular weight of 236.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117344925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).