N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine

C11H19F2N — CID 164556248

IUPACN-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
SMILESC=C(NCC(C)C)C1(C)CC(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-8(2)5-14-9(3)10(4)6-11(12,13)7-10/h8,14H,3,5-7H2,1-2,4H3
InChIKeyFMSXPRWWDCDUCZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine

N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine (PubChem CID 164556248) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
PubChem CID164556248
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine
SMILESC=C(NCC(C)C)C1(C)CC(F)(F)C1
InChIInChI=1S/C11H19F2N/c1-8(2)5-14-9(3)10(4)6-11(12,13)7-10/h8,14H,3,5-7H2,1-2,4H3
InChIKeyFMSXPRWWDCDUCZ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine (CID 164556248) is N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine is C=C(NCC(C)C)C1(C)CC(F)(F)C1.
What is the InChIKey of N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine?
The InChIKey is FMSXPRWWDCDUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)5-14-9(3)10(4)6-11(12,13)7-10/h8,14H,3,5-7H2,1-2,4H3.
What are the key properties of N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine?
N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluoro-1-methylcyclobutyl)ethenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 164556248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).