[2-(difluoromethyl)-1-phenylcyclopropyl]methanamine

C11H13F2N — CID 117273841

IUPAC[2-(difluoromethyl)-1-phenylcyclopropyl]methanamine
SMILESNCC1(c2ccccc2)CC1C(F)F
InChIInChI=1S/C11H13F2N/c12-10(13)9-6-11(9,7-14)8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2
InChIKeyXOXRNOIIMYEBRX-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.17
Rot. Bonds3

About [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine

[2-(difluoromethyl)-1-phenylcyclopropyl]methanamine (PubChem CID 117273841) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-1-phenylcyclopropyl]methanamine
PubChem CID117273841
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name[2-(difluoromethyl)-1-phenylcyclopropyl]methanamine
SMILESNCC1(c2ccccc2)CC1C(F)F
InChIInChI=1S/C11H13F2N/c12-10(13)9-6-11(9,7-14)8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2
InChIKeyXOXRNOIIMYEBRX-UHFFFAOYSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine (CID 117273841) is [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine is NCC1(c2ccccc2)CC1C(F)F.
What is the InChIKey of [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine?
The InChIKey is XOXRNOIIMYEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-10(13)9-6-11(9,7-14)8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2.
What are the key properties of [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine?
[2-(difluoromethyl)-1-phenylcyclopropyl]methanamine has a molecular weight of 197.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1-phenylcyclopropyl]methanamine is sourced from PubChem (CID 117273841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).