[2-deuterio-4-(trifluoromethyl)phenyl]methanamine

C8H8F3N — CID 175728554

IUPAC[2-deuterio-4-(trifluoromethyl)phenyl]methanamine
SMILES[2H]c1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2/i1D
InChIKeyPRDBLLIPPDOICK-MICDWDOJSA-N
MW176.16 g/mol
LogP2.16
Rot. Bonds1

About [2-deuterio-4-(trifluoromethyl)phenyl]methanamine

[2-deuterio-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 175728554) has the molecular formula C8H8F3N and a molecular weight of 176.16 g/mol. Its IUPAC name is [2-deuterio-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-deuterio-4-(trifluoromethyl)phenyl]methanamine
PubChem CID175728554
Molecular FormulaC8H8F3N
Molecular Weight176.16 g/mol
Exact Mass176.07
IUPAC Name[2-deuterio-4-(trifluoromethyl)phenyl]methanamine
SMILES[2H]c1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2/i1D
InChIKeyPRDBLLIPPDOICK-MICDWDOJSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
[2-deuterio-4-(2-methoxypropan-2-yl)phenyl]methanamine
CID 175884767
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 62725893
bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118395946
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
CID 158815051

Frequently Asked Questions

What is the IUPAC name of [2-deuterio-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-deuterio-4-(trifluoromethyl)phenyl]methanamine (CID 175728554) is [2-deuterio-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-deuterio-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-deuterio-4-(trifluoromethyl)phenyl]methanamine is [2H]c1cc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-deuterio-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PRDBLLIPPDOICK-MICDWDOJSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2/i1D.
What are the key properties of [2-deuterio-4-(trifluoromethyl)phenyl]methanamine?
[2-deuterio-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 176.16 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-deuterio-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 175728554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).