1,1-difluorocyclopropane;2-phenylacetic acid

C11H12F2O2 — CID 165403189

IUPAC1,1-difluorocyclopropane;2-phenylacetic acid
SMILESFC1(F)CC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C3H4F2/c9-8(10)6-7-4-2-1-3-5-7;4-3(5)1-2-3/h1-5H,6H2,(H,9,10);1-2H2
InChIKeyMJJFNXQFCWLCTH-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.73
Rot. Bonds2

About 1,1-difluorocyclopropane;2-phenylacetic acid

1,1-difluorocyclopropane;2-phenylacetic acid (PubChem CID 165403189) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1,1-difluorocyclopropane;2-phenylacetic acid.

Molecular Properties

Compound Name1,1-difluorocyclopropane;2-phenylacetic acid
PubChem CID165403189
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1,1-difluorocyclopropane;2-phenylacetic acid
SMILESFC1(F)CC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C8H8O2.C3H4F2/c9-8(10)6-7-4-2-1-3-5-7;4-3(5)1-2-3/h1-5H,6H2,(H,9,10);1-2H2
InChIKeyMJJFNXQFCWLCTH-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
calcium;hydride;2-phenylacetic acid
CID 173132712
formaldehyde;2-phenylacetic acid
CID 70638018
naphthalene;2-phenylacetic acid
CID 174965541
2-phenylacetic acid;propanedioic acid
CID 159349511
chloro hypochlorite;2-phenylacetic acid
CID 174297587
2-[3-[(1-fluorocyclopropyl)methyl]phenyl]acetic acid
CID 84722633
1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone
CID 141369177
2-[3-[(1-fluorocyclobutyl)methyl]phenyl]acetic acid
CID 84725013

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorocyclopropane;2-phenylacetic acid?
The IUPAC name of 1,1-difluorocyclopropane;2-phenylacetic acid (CID 165403189) is 1,1-difluorocyclopropane;2-phenylacetic acid.
What is the SMILES notation for 1,1-difluorocyclopropane;2-phenylacetic acid?
The canonical SMILES for 1,1-difluorocyclopropane;2-phenylacetic acid is FC1(F)CC1.O=C(O)Cc1ccccc1.
What is the InChIKey of 1,1-difluorocyclopropane;2-phenylacetic acid?
The InChIKey is MJJFNXQFCWLCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C3H4F2/c9-8(10)6-7-4-2-1-3-5-7;4-3(5)1-2-3/h1-5H,6H2,(H,9,10);1-2H2.
What are the key properties of 1,1-difluorocyclopropane;2-phenylacetic acid?
1,1-difluorocyclopropane;2-phenylacetic acid has a molecular weight of 214.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorocyclopropane;2-phenylacetic acid is sourced from PubChem (CID 165403189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).