(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine

C10H11F4N — CID 118957859

IUPAC(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
SMILESC[C@H](NCc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H11F4N/c1-7(10(12,13)14)15-6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m0/s1
InChIKeyKLZIMAZQYDNFPK-ZETCQYMHSA-N
MW221.20 g/mol
LogP2.87
Rot. Bonds3

About (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine

(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine (PubChem CID 118957859) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
PubChem CID118957859
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
SMILESC[C@H](NCc1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C10H11F4N/c1-7(10(12,13)14)15-6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m0/s1
InChIKeyKLZIMAZQYDNFPK-ZETCQYMHSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957862
N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine
CID 59828878
dipotassium;1-(bromomethyl)-4-fluorobenzene;hydride;methane;oxido formate;propan-2-amine;(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine;hydrochloride
CID 165095028
3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
1-chloro-N-[(4-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353768
4-chloro-N-[(4-fluorophenyl)methyl]butan-2-amine
CID 83187315
N-[(4-fluorophenyl)methyl]-1-methylsulfanylethanamine;trifluoromethanesulfonic acid
CID 171928760
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
N-benzyl-3,3-difluorobutan-2-amine
CID 130723597
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine (CID 118957859) is (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine is C[C@H](NCc1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?
The InChIKey is KLZIMAZQYDNFPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F4N/c1-7(10(12,13)14)15-6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?
(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine has a molecular weight of 221.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 118957859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).