1-(3,3-difluorocyclobutylidene)-N-methylmethanamine

C6H9F2N — CID 141354931

IUPAC1-(3,3-difluorocyclobutylidene)-N-methylmethanamine
SMILESCNC=C1CC(F)(F)C1
InChIInChI=1S/C6H9F2N/c1-9-4-5-2-6(7,8)3-5/h4,9H,2-3H2,1H3
InChIKeyQCCARLVLGNBUGB-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.52
Rot. Bonds1

About 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine

1-(3,3-difluorocyclobutylidene)-N-methylmethanamine (PubChem CID 141354931) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutylidene)-N-methylmethanamine
PubChem CID141354931
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name1-(3,3-difluorocyclobutylidene)-N-methylmethanamine
SMILESCNC=C1CC(F)(F)C1
InChIInChI=1S/C6H9F2N/c1-9-4-5-2-6(7,8)3-5/h4,9H,2-3H2,1H3
InChIKeyQCCARLVLGNBUGB-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine?
The IUPAC name of 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine (CID 141354931) is 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine?
The canonical SMILES for 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine is CNC=C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine?
The InChIKey is QCCARLVLGNBUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-9-4-5-2-6(7,8)3-5/h4,9H,2-3H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine?
1-(3,3-difluorocyclobutylidene)-N-methylmethanamine has a molecular weight of 133.14 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutylidene)-N-methylmethanamine is sourced from PubChem (CID 141354931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).