3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile

C9H7ClFNO — CID 102084545

IUPAC3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile
SMILESN#CC(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClFNO/c10-7-3-1-6(2-4-7)9(13)8(11)5-12/h1-4,8-9,13H
InChIKeyFLIPBZDNDIMMRX-UHFFFAOYSA-N
MW199.61 g/mol
LogP2.24
Rot. Bonds2

About 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile

3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile (PubChem CID 102084545) has the molecular formula C9H7ClFNO and a molecular weight of 199.61 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile
PubChem CID102084545
Molecular FormulaC9H7ClFNO
Molecular Weight199.61 g/mol
Exact Mass199.02
IUPAC Name3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile
SMILESN#CC(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClFNO/c10-7-3-1-6(2-4-7)9(13)8(11)5-12/h1-4,8-9,13H
InChIKeyFLIPBZDNDIMMRX-UHFFFAOYSA-N
XLogP2.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 10758
CID 10758
CID 13397
CID 13397
CID 439767
CID 439767
CID 9548674
CID 9548674
CID 7033
CID 7033
CID 8401
CID 8401
CID 18825
CID 18825
CID 202426
CID 202426
CID 21417
CID 21417
CID 83774
CID 83774
CID 86679
CID 86679
CID 101107
CID 101107

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile?
The IUPAC name of 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile (CID 102084545) is 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile?
The canonical SMILES for 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile is N#CC(F)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile?
The InChIKey is FLIPBZDNDIMMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO/c10-7-3-1-6(2-4-7)9(13)8(11)5-12/h1-4,8-9,13H.
What are the key properties of 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile?
3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile has a molecular weight of 199.61 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-fluoro-3-hydroxypropanenitrile is sourced from PubChem (CID 102084545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).