trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine

C7H13F2N — CID 172508216

IUPACtrans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)N(C)C1[C@@H](F)[C@@H]1F
InChIInChI=1S/C7H13F2N/c1-4(2)10(3)7-5(8)6(7)9/h4-7H,1-3H3/t5-,6-/m0/s1
InChIKeyYNMLOJURDGEUGI-WDSKDSINSA-N
MW149.18 g/mol
LogP1.38
Rot. Bonds2

About trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine

trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine (PubChem CID 172508216) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine
PubChem CID172508216
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Nametrans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)N(C)C1[C@@H](F)[C@@H]1F
InChIInChI=1S/C7H13F2N/c1-4(2)10(3)7-5(8)6(7)9/h4-7H,1-3H3/t5-,6-/m0/s1
InChIKeyYNMLOJURDGEUGI-WDSKDSINSA-N
XLogP1.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine (CID 172508216) is trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine is CC(C)N(C)C1[C@@H](F)[C@@H]1F.
What is the InChIKey of trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is YNMLOJURDGEUGI-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13F2N/c1-4(2)10(3)7-5(8)6(7)9/h4-7H,1-3H3/t5-,6-/m0/s1.
What are the key properties of trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine?
trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 149.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-2,3-difluoro-N-methyl-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 172508216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).