N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide

C12H16FNO3 — CID 146554456

IUPACN-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide
SMILESC[C@@H](O)c1cc(F)ccc1OCCN(C)C=O
InChIInChI=1S/C12H16FNO3/c1-9(16)11-7-10(13)3-4-12(11)17-6-5-14(2)8-15/h3-4,7-9,16H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyVEEVFHADYBNEKL-SECBINFHSA-N
MW241.26 g/mol
LogP1.35
Rot. Bonds6

About N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide

N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide (PubChem CID 146554456) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide
PubChem CID146554456
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide
SMILESC[C@@H](O)c1cc(F)ccc1OCCN(C)C=O
InChIInChI=1S/C12H16FNO3/c1-9(16)11-7-10(13)3-4-12(11)17-6-5-14(2)8-15/h3-4,7-9,16H,5-6H2,1-2H3/t9-/m1/s1
InChIKeyVEEVFHADYBNEKL-SECBINFHSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(dimethylamino)propoxy]-5-fluorophenyl]ethanol
CID 114525691
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
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(1S)-1-[5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564087
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
1-[5-fluoro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanol
CID 104792501
(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol
CID 78932553

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide?
The IUPAC name of N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide (CID 146554456) is N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide.
What is the SMILES notation for N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide?
The canonical SMILES for N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide is C[C@@H](O)c1cc(F)ccc1OCCN(C)C=O.
What is the InChIKey of N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide?
The InChIKey is VEEVFHADYBNEKL-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-9(16)11-7-10(13)3-4-12(11)17-6-5-14(2)8-15/h3-4,7-9,16H,5-6H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide?
N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide has a molecular weight of 241.26 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]ethyl]-N-methylformamide is sourced from PubChem (CID 146554456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).