1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid

C14H16FNO3 — CID 117416870

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C14H16FNO3/c15-11-9-10(14(3-4-14)13(17)18)1-2-12(11)16-5-7-19-8-6-16/h1-2,9H,3-8H2,(H,17,18)
InChIKeyQBAZEGKKSUJWIB-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.78
Rot. Bonds3

About 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid

1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117416870) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117416870
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(N3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C14H16FNO3/c15-11-9-10(14(3-4-14)13(17)18)1-2-12(11)16-5-7-19-8-6-16/h1-2,9H,3-8H2,(H,17,18)
InChIKeyQBAZEGKKSUJWIB-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]cyclopropane-1-carboxylic acid
CID 18423009
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 3863811
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117440559
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
3-(3-fluoro-4-morpholin-4-ylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 118398302
(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51590100
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
1-(3-fluoro-4-imidazol-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117404498
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
1-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117444331

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid (CID 117416870) is 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(N3CCOCC3)c(F)c2)CC1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is QBAZEGKKSUJWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-11-9-10(14(3-4-14)13(17)18)1-2-12(11)16-5-7-19-8-6-16/h1-2,9H,3-8H2,(H,17,18).
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid?
1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117416870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).