cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone

C14H18FNO2 — CID 142806562

IUPACcyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone
SMILESCNC(CF)C(O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H18FNO2/c1-16-12(8-15)14(18)11-6-4-10(5-7-11)13(17)9-2-3-9/h4-7,9,12,14,16,18H,2-3,8H2,1H3
InChIKeyWZEHIGJUGGKSET-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.87
Rot. Bonds6

About cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone

cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone (PubChem CID 142806562) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone
PubChem CID142806562
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namecyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone
SMILESCNC(CF)C(O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H18FNO2/c1-16-12(8-15)14(18)11-6-4-10(5-7-11)13(17)9-2-3-9/h4-7,9,12,14,16,18H,2-3,8H2,1H3
InChIKeyWZEHIGJUGGKSET-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(cyclopropanecarbonyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878414
methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate
CID 125466574
(4-propan-2-ylphenyl)-(4-propylcyclohexyl)methanone
CID 65424840
[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
CID 116917614
N-[1-(4-acetylphenyl)-3-fluoro-1-hydroxypropan-2-yl]-2-chloroacetamide
CID 23570597
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917587
[4-(difluoromethyl)phenyl]-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171947669
N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
CID 20803106
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
N-[(1R,2S)-1-(4-acetylphenyl)-3-fluoro-1-hydroxypropan-2-yl]-2-chloro-2-fluoroacetamide
CID 58631161
4-[(1R)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-hydroxypropyl]benzoic acid
CID 58631113
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone (CID 142806562) is cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone is CNC(CF)C(O)c1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone?
The InChIKey is WZEHIGJUGGKSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16-12(8-15)14(18)11-6-4-10(5-7-11)13(17)9-2-3-9/h4-7,9,12,14,16,18H,2-3,8H2,1H3.
What are the key properties of cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone?
cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone has a molecular weight of 251.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-fluoro-1-hydroxy-2-(methylamino)propyl]phenyl]methanone is sourced from PubChem (CID 142806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).