2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile

C16H14FNO2 — CID 103960657

IUPAC2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile
SMILESCC[C@H](O)c1ccccc1Oc1ccc(C#N)c(F)c1
InChIInChI=1S/C16H14FNO2/c1-2-15(19)13-5-3-4-6-16(13)20-12-8-7-11(10-18)14(17)9-12/h3-9,15,19H,2H2,1H3/t15-/m0/s1
InChIKeyBYCFLXYZCIJQGD-HNNXBMFYSA-N
MW271.29 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile

2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile (PubChem CID 103960657) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile
PubChem CID103960657
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile
SMILESCC[C@H](O)c1ccccc1Oc1ccc(C#N)c(F)c1
InChIInChI=1S/C16H14FNO2/c1-2-15(19)13-5-3-4-6-16(13)20-12-8-7-11(10-18)14(17)9-12/h3-9,15,19H,2H2,1H3/t15-/m0/s1
InChIKeyBYCFLXYZCIJQGD-HNNXBMFYSA-N
XLogP3.93
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3-fluoro-4-nitrophenoxy)phenyl]propan-1-ol
CID 103960599
2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
CID 103939277
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-1-ol
CID 112679142
(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
CID 103960549
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
CID 103960590
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
CID 103960520
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile?
The IUPAC name of 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile (CID 103960657) is 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile?
The canonical SMILES for 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile is CC[C@H](O)c1ccccc1Oc1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile?
The InChIKey is BYCFLXYZCIJQGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-2-15(19)13-5-3-4-6-16(13)20-12-8-7-11(10-18)14(17)9-12/h3-9,15,19H,2H2,1H3/t15-/m0/s1.
What are the key properties of 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile?
2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile is sourced from PubChem (CID 103960657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).