1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine

C7H12F3N — CID 84765181

IUPAC1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine
SMILESNC1(C(CF)(CF)CF)CC1
InChIInChI=1S/C7H12F3N/c8-3-6(4-9,5-10)7(11)1-2-7/h1-5,11H2
InChIKeyBNVTVMPZXYCYBU-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.37
Rot. Bonds4

About 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine

1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine (PubChem CID 84765181) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine
PubChem CID84765181
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine
SMILESNC1(C(CF)(CF)CF)CC1
InChIInChI=1S/C7H12F3N/c8-3-6(4-9,5-10)7(11)1-2-7/h1-5,11H2
InChIKeyBNVTVMPZXYCYBU-UHFFFAOYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine (CID 84765181) is 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine is NC1(C(CF)(CF)CF)CC1.
What is the InChIKey of 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine?
The InChIKey is BNVTVMPZXYCYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-3-6(4-9,5-10)7(11)1-2-7/h1-5,11H2.
What are the key properties of 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine?
1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-difluoro-2-(fluoromethyl)propan-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 84765181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).