3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile

C9H14FNO — CID 102084543

IUPAC3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile
SMILESN#CC(F)C(O)C1CCCCC1
InChIInChI=1S/C9H14FNO/c10-8(6-11)9(12)7-4-2-1-3-5-7/h7-9,12H,1-5H2
InChIKeyQCBBZBXXVRDWNO-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.79
Rot. Bonds2

About 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile

3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile (PubChem CID 102084543) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile.

Molecular Properties

Compound Name3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile
PubChem CID102084543
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile
SMILESN#CC(F)C(O)C1CCCCC1
InChIInChI=1S/C9H14FNO/c10-8(6-11)9(12)7-4-2-1-3-5-7/h7-9,12H,1-5H2
InChIKeyQCBBZBXXVRDWNO-UHFFFAOYSA-N
XLogP1.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile?
The IUPAC name of 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile (CID 102084543) is 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile.
What is the SMILES notation for 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile?
The canonical SMILES for 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile is N#CC(F)C(O)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile?
The InChIKey is QCBBZBXXVRDWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-8(6-11)9(12)7-4-2-1-3-5-7/h7-9,12H,1-5H2.
What are the key properties of 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile?
3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile has a molecular weight of 171.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile is sourced from PubChem (CID 102084543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).