1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile

C10H16FNO — CID 127008566

IUPAC1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile
SMILESN#CC1(CC(O)CF)CCCCC1
InChIInChI=1S/C10H16FNO/c11-7-9(13)6-10(8-12)4-2-1-3-5-10/h9,13H,1-7H2
InChIKeyIGCYFRFRSSJKDD-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.18
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile

1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile (PubChem CID 127008566) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile
PubChem CID127008566
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile
SMILESN#CC1(CC(O)CF)CCCCC1
InChIInChI=1S/C10H16FNO/c11-7-9(13)6-10(8-12)4-2-1-3-5-10/h9,13H,1-7H2
InChIKeyIGCYFRFRSSJKDD-UHFFFAOYSA-N
XLogP2.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile (CID 127008566) is 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile is N#CC1(CC(O)CF)CCCCC1.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile?
The InChIKey is IGCYFRFRSSJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c11-7-9(13)6-10(8-12)4-2-1-3-5-10/h9,13H,1-7H2.
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile?
1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile has a molecular weight of 185.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 127008566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).