3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine

C9H15F4N — CID 164647300

IUPAC3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCC1(C)C(N)CC1(F)CCC(F)(F)F
InChIInChI=1S/C9H15F4N/c1-7(2)6(14)5-8(7,10)3-4-9(11,12)13/h6H,3-5,14H2,1-2H3
InChIKeyMQUAYYQPEPTICQ-UHFFFAOYSA-N
MW213.22 g/mol
LogP2.79
Rot. Bonds2

About 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine

3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine (PubChem CID 164647300) has the molecular formula C9H15F4N and a molecular weight of 213.22 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine
PubChem CID164647300
Molecular FormulaC9H15F4N
Molecular Weight213.22 g/mol
Exact Mass213.11
IUPAC Name3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine
SMILESCC1(C)C(N)CC1(F)CCC(F)(F)F
InChIInChI=1S/C9H15F4N/c1-7(2)6(14)5-8(7,10)3-4-9(11,12)13/h6H,3-5,14H2,1-2H3
InChIKeyMQUAYYQPEPTICQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine (CID 164647300) is 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine is CC1(C)C(N)CC1(F)CCC(F)(F)F.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
The InChIKey is MQUAYYQPEPTICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4N/c1-7(2)6(14)5-8(7,10)3-4-9(11,12)13/h6H,3-5,14H2,1-2H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine?
3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine has a molecular weight of 213.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3-(3,3,3-trifluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 164647300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).