(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine

C12H13F4N — CID 154991049

IUPAC(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
SMILESCC1([C@@H](N)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C12H13F4N/c1-11(4-5-11)10(17)7-2-3-8(9(13)6-7)12(14,15)16/h2-3,6,10H,4-5,17H2,1H3/t10-/m0/s1
InChIKeyPLAAURGNEOUBTI-JTQLQIEISA-N
MW247.24 g/mol
LogP3.64
Rot. Bonds2

About (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine

(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine (PubChem CID 154991049) has the molecular formula C12H13F4N and a molecular weight of 247.24 g/mol. Its IUPAC name is (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
PubChem CID154991049
Molecular FormulaC12H13F4N
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
SMILESCC1([C@@H](N)c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C12H13F4N/c1-11(4-5-11)10(17)7-2-3-8(9(13)6-7)12(14,15)16/h2-3,6,10H,4-5,17H2,1H3/t10-/m0/s1
InChIKeyPLAAURGNEOUBTI-JTQLQIEISA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
CID 107292057
(4,4-dimethylcyclohexyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289028
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292542
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797

Frequently Asked Questions

What is the IUPAC name of (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
The IUPAC name of (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine (CID 154991049) is (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine.
What is the SMILES notation for (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
The canonical SMILES for (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine is CC1([C@@H](N)c2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
The InChIKey is PLAAURGNEOUBTI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F4N/c1-11(4-5-11)10(17)7-2-3-8(9(13)6-7)12(14,15)16/h2-3,6,10H,4-5,17H2,1H3/t10-/m0/s1.
What are the key properties of (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine?
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine has a molecular weight of 247.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine is sourced from PubChem (CID 154991049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).