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

C8H12FNO — CID 127008564

IUPAC1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CC(O)CF)CCC1
InChIInChI=1S/C8H12FNO/c9-5-7(11)4-8(6-10)2-1-3-8/h7,11H,1-5H2
InChIKeyIWXQKUKONHWUBA-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.40
Rot. Bonds3

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

1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile (PubChem CID 127008564) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile
PubChem CID127008564
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile
SMILESN#CC1(CC(O)CF)CCC1
InChIInChI=1S/C8H12FNO/c9-5-7(11)4-8(6-10)2-1-3-8/h7,11H,1-5H2
InChIKeyIWXQKUKONHWUBA-UHFFFAOYSA-N
XLogP1.40
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.40
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)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile (CID 127008564) is 1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile is N#CC1(CC(O)CF)CCC1.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile?
The InChIKey is IWXQKUKONHWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-5-7(11)4-8(6-10)2-1-3-8/h7,11H,1-5H2.
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile?
1-(3-fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile has a molecular weight of 157.19 g/mol, XLogP of 1.40, 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)cyclobutane-1-carbonitrile is sourced from PubChem (CID 127008564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).