(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine

C12H15F2N — CID 125466550

IUPAC(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
SMILESCC1([C@@H](N)c2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C12H15F2N/c1-12(6-7-12)10(15)8-2-4-9(5-3-8)11(13)14/h2-5,10-11H,6-7,15H2,1H3/t10-/m0/s1
InChIKeyQCGCMIAXRIUYRG-JTQLQIEISA-N
MW211.26 g/mol
LogP3.42
Rot. Bonds3

About (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine

(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine (PubChem CID 125466550) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
PubChem CID125466550
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
SMILESCC1([C@@H](N)c2ccc(C(F)F)cc2)CC1
InChIInChI=1S/C12H15F2N/c1-12(6-7-12)10(15)8-2-4-9(5-3-8)11(13)14/h2-5,10-11H,6-7,15H2,1H3/t10-/m0/s1
InChIKeyQCGCMIAXRIUYRG-JTQLQIEISA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
The IUPAC name of (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine (CID 125466550) is (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine.
What is the SMILES notation for (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
The canonical SMILES for (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine is CC1([C@@H](N)c2ccc(C(F)F)cc2)CC1.
What is the InChIKey of (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
The InChIKey is QCGCMIAXRIUYRG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F2N/c1-12(6-7-12)10(15)8-2-4-9(5-3-8)11(13)14/h2-5,10-11H,6-7,15H2,1H3/t10-/m0/s1.
What are the key properties of (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
(R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine has a molecular weight of 211.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(difluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine is sourced from PubChem (CID 125466550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).