2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine

C7H13F2N — CID 163781163

IUPAC2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)CC1(N)CC1(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)3-6(10)4-7(6,8)9/h5H,3-4,10H2,1-2H3
InChIKeyMORYUALBJSQEKW-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.77
Rot. Bonds2

About 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine

2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine (PubChem CID 163781163) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine
PubChem CID163781163
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)CC1(N)CC1(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)3-6(10)4-7(6,8)9/h5H,3-4,10H2,1-2H3
InChIKeyMORYUALBJSQEKW-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine?
The IUPAC name of 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine (CID 163781163) is 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine?
The canonical SMILES for 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine is CC(C)CC1(N)CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine?
The InChIKey is MORYUALBJSQEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)3-6(10)4-7(6,8)9/h5H,3-4,10H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine?
2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 163781163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).