(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid

C18H14F2O2 — CID 14347553

IUPAC(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid
SMILESO=C(O)/C=C\[C@H]1CC1(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H14F2O2/c19-15-5-1-3-12(9-15)18(11-14(18)7-8-17(21)22)13-4-2-6-16(20)10-13/h1-10,14H,11H2,(H,21,22)/b8-7-/t14-/m0/s1
InChIKeyGXDVYGTZBKGNCU-DANTVBBOSA-N
MW300.30 g/mol
LogP3.91
Rot. Bonds4

About (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid

(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid (PubChem CID 14347553) has the molecular formula C18H14F2O2 and a molecular weight of 300.30 g/mol. Its IUPAC name is (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid
PubChem CID14347553
Molecular FormulaC18H14F2O2
Molecular Weight300.30 g/mol
Exact Mass300.10
IUPAC Name(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid
SMILESO=C(O)/C=C\[C@H]1CC1(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H14F2O2/c19-15-5-1-3-12(9-15)18(11-14(18)7-8-17(21)22)13-4-2-6-16(20)10-13/h1-10,14H,11H2,(H,21,22)/b8-7-/t14-/m0/s1
InChIKeyGXDVYGTZBKGNCU-DANTVBBOSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid (CID 14347553) is (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid is O=C(O)/C=C\[C@H]1CC1(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid?
The InChIKey is GXDVYGTZBKGNCU-DANTVBBOSA-N. The full InChI is InChI=1S/C18H14F2O2/c19-15-5-1-3-12(9-15)18(11-14(18)7-8-17(21)22)13-4-2-6-16(20)10-13/h1-10,14H,11H2,(H,21,22)/b8-7-/t14-/m0/s1.
What are the key properties of (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid?
(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid has a molecular weight of 300.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid is sourced from PubChem (CID 14347553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).