3,3-bis(trifluoromethyl)cyclobutan-1-amine

C6H7F6N — CID 50989714

IUPAC3,3-bis(trifluoromethyl)cyclobutan-1-amine
SMILESNC1CC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C6H7F6N/c7-5(8,9)4(6(10,11)12)1-3(13)2-4/h3H,1-2,13H2
InChIKeyQUTPPDWWJFTGSW-UHFFFAOYSA-N
MW207.12 g/mol
LogP2.22
Rot. Bonds

About 3,3-bis(trifluoromethyl)cyclobutan-1-amine

3,3-bis(trifluoromethyl)cyclobutan-1-amine (PubChem CID 50989714) has the molecular formula C6H7F6N and a molecular weight of 207.12 g/mol. Its IUPAC name is 3,3-bis(trifluoromethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-bis(trifluoromethyl)cyclobutan-1-amine
PubChem CID50989714
Molecular FormulaC6H7F6N
Molecular Weight207.12 g/mol
Exact Mass207.05
IUPAC Name3,3-bis(trifluoromethyl)cyclobutan-1-amine
SMILESNC1CC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C6H7F6N/c7-5(8,9)4(6(10,11)12)1-3(13)2-4/h3H,1-2,13H2
InChIKeyQUTPPDWWJFTGSW-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(trifluoromethyl)cyclobutan-1-amine?
The IUPAC name of 3,3-bis(trifluoromethyl)cyclobutan-1-amine (CID 50989714) is 3,3-bis(trifluoromethyl)cyclobutan-1-amine.
What is the SMILES notation for 3,3-bis(trifluoromethyl)cyclobutan-1-amine?
The canonical SMILES for 3,3-bis(trifluoromethyl)cyclobutan-1-amine is NC1CC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of 3,3-bis(trifluoromethyl)cyclobutan-1-amine?
The InChIKey is QUTPPDWWJFTGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6N/c7-5(8,9)4(6(10,11)12)1-3(13)2-4/h3H,1-2,13H2.
What are the key properties of 3,3-bis(trifluoromethyl)cyclobutan-1-amine?
3,3-bis(trifluoromethyl)cyclobutan-1-amine has a molecular weight of 207.12 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(trifluoromethyl)cyclobutan-1-amine is sourced from PubChem (CID 50989714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).