[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine

C10H11F2N — CID 94556780

IUPAC[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2N/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4,7-8H,3,5,13H2/t7-,8-/m0/s1
InChIKeyTYTVBWPXIREWOF-YUMQZZPRSA-N
MW183.20 g/mol
LogP2.03
Rot. Bonds2

About [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine

[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine (PubChem CID 94556780) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
PubChem CID94556780
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2N/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4,7-8H,3,5,13H2/t7-,8-/m0/s1
InChIKeyTYTVBWPXIREWOF-YUMQZZPRSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 62704549
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine
CID 134365408
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
CID 94556817
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
[2-(4-tert-butylphenyl)cyclopropyl]methanamine
CID 62708884
[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557656

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine (CID 94556780) is [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine is NC[C@@H]1C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine?
The InChIKey is TYTVBWPXIREWOF-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H11F2N/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4,7-8H,3,5,13H2/t7-,8-/m0/s1.
What are the key properties of [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine?
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine has a molecular weight of 183.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 94556780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).