3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine

C11H13F2N — CID 130488414

IUPAC3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)C(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2N/c1-11(2)9(10(11)14)6-3-7(12)5-8(13)4-6/h3-5,9-10H,14H2,1-2H3
InChIKeyQNTONGPYMGTWOZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.42
Rot. Bonds1

About 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine

3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 130488414) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID130488414
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)C(N)C1c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2N/c1-11(2)9(10(11)14)6-3-7(12)5-8(13)4-6/h3-5,9-10H,14H2,1-2H3
InChIKeyQNTONGPYMGTWOZ-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine (CID 130488414) is 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine is CC1(C)C(N)C1c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is QNTONGPYMGTWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-11(2)9(10(11)14)6-3-7(12)5-8(13)4-6/h3-5,9-10H,14H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine?
3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 130488414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).