(Z)-7-fluoro-9-hydroxynon-7-enenitrile

C9H14FNO — CID 138375678

IUPAC(Z)-7-fluoro-9-hydroxynon-7-enenitrile
SMILESN#CCCCCC/C(F)=C/CO
InChIInChI=1S/C9H14FNO/c10-9(6-8-12)5-3-1-2-4-7-11/h6,12H,1-5,8H2/b9-6-
InChIKeyJXMYJXJCILJANK-TWGQIWQCSA-N
MW171.22 g/mol
LogP2.31
Rot. Bonds6

About (Z)-7-fluoro-9-hydroxynon-7-enenitrile

(Z)-7-fluoro-9-hydroxynon-7-enenitrile (PubChem CID 138375678) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is (Z)-7-fluoro-9-hydroxynon-7-enenitrile.

Molecular Properties

Compound Name(Z)-7-fluoro-9-hydroxynon-7-enenitrile
PubChem CID138375678
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name(Z)-7-fluoro-9-hydroxynon-7-enenitrile
SMILESN#CCCCCC/C(F)=C/CO
InChIInChI=1S/C9H14FNO/c10-9(6-8-12)5-3-1-2-4-7-11/h6,12H,1-5,8H2/b9-6-
InChIKeyJXMYJXJCILJANK-TWGQIWQCSA-N
XLogP2.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-11-hydroxyundec-9-enenitrile
CID 134381641
(E)-11-hydroxyundec-9-enenitrile
CID 139463269
11-Hydroxyundec-9-enenitrile
CID 141765926
(Z)-7-hydroxyhept-5-enenitrile
CID 10678233
(E)-8-hydroxyoct-6-enenitrile
CID 14437928
(Z)-8-hydroxyoct-6-enenitrile
CID 14437929
(E)-7-hydroxyhept-5-enenitrile
CID 15297564
(5E)-7-Hydroxy-5-methyl-5-heptenenitrile
CID 133633693

Frequently Asked Questions

What is the IUPAC name of (Z)-7-fluoro-9-hydroxynon-7-enenitrile?
The IUPAC name of (Z)-7-fluoro-9-hydroxynon-7-enenitrile (CID 138375678) is (Z)-7-fluoro-9-hydroxynon-7-enenitrile.
What is the SMILES notation for (Z)-7-fluoro-9-hydroxynon-7-enenitrile?
The canonical SMILES for (Z)-7-fluoro-9-hydroxynon-7-enenitrile is N#CCCCCC/C(F)=C/CO.
What is the InChIKey of (Z)-7-fluoro-9-hydroxynon-7-enenitrile?
The InChIKey is JXMYJXJCILJANK-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H14FNO/c10-9(6-8-12)5-3-1-2-4-7-11/h6,12H,1-5,8H2/b9-6-.
What are the key properties of (Z)-7-fluoro-9-hydroxynon-7-enenitrile?
(Z)-7-fluoro-9-hydroxynon-7-enenitrile has a molecular weight of 171.22 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-fluoro-9-hydroxynon-7-enenitrile is sourced from PubChem (CID 138375678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).