3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile

C7H10FNO — CID 168857165

IUPAC3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile
SMILESCOC1(CF)CC(C#N)C1
InChIInChI=1S/C7H10FNO/c1-10-7(5-8)2-6(3-7)4-9/h6H,2-3,5H2,1H3
InChIKeySAVJCBMHLWGNSQ-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.27
Rot. Bonds2

About 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile

3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile (PubChem CID 168857165) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile
PubChem CID168857165
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile
SMILESCOC1(CF)CC(C#N)C1
InChIInChI=1S/C7H10FNO/c1-10-7(5-8)2-6(3-7)4-9/h6H,2-3,5H2,1H3
InChIKeySAVJCBMHLWGNSQ-UHFFFAOYSA-N
XLogP1.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxycyclobutane-1-carbonitrile
CID 66071122
Methoxy-2,4-dimethyl valeronitrile
CID 15495967
4-Methoxy-2,4-dimethylvaleronitrile
CID 21987547
Cyclobutanecarbonitrile, 3-fluoro-3-(methoxymethyl)-
CID 168857222
3-Methoxy-3-methylcyclobutane-1-carbonitrile
CID 13702295
(2R)-4-methoxy-2,4-dimethylpentanenitrile
CID 101512447
(2S)-4-methoxy-2,4-dimethylpentanenitrile
CID 101512448
1-Methoxy-3-methylcyclobutane-1-carbonitrile
CID 103565395
1-Ethoxy-3-methylcyclobutane-1-carbonitrile
CID 103565397

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile?
The IUPAC name of 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile (CID 168857165) is 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile?
The canonical SMILES for 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile is COC1(CF)CC(C#N)C1.
What is the InChIKey of 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile?
The InChIKey is SAVJCBMHLWGNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-10-7(5-8)2-6(3-7)4-9/h6H,2-3,5H2,1H3.
What are the key properties of 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile?
3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile has a molecular weight of 143.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3-methoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 168857165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).