[3,5-bis(trifluoromethyl)phenyl]methanamine

C9H7F6N — CID 521099

IUPAC[3,5-bis(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2
InChIKeyDHVHORCFFOSRBP-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.18
Rot. Bonds1

About [3,5-bis(trifluoromethyl)phenyl]methanamine

[3,5-bis(trifluoromethyl)phenyl]methanamine (PubChem CID 521099) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]methanamine
PubChem CID521099
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2
InChIKeyDHVHORCFFOSRBP-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methanamine (CID 521099) is [3,5-bis(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]methanamine is NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]methanamine?
The InChIKey is DHVHORCFFOSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H,4,16H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]methanamine?
[3,5-bis(trifluoromethyl)phenyl]methanamine has a molecular weight of 243.15 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 521099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).