[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine

C9H9F4N — CID 83856265

IUPAC[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
SMILESNCc1cccc(C(F)C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c10-8(9(11,12)13)7-3-1-2-6(4-7)5-14/h1-4,8H,5,14H2
InChIKeyWYQDHVBBWWLNCK-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.72
Rot. Bonds2

About [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine

[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine (PubChem CID 83856265) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
PubChem CID83856265
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
SMILESNCc1cccc(C(F)C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c10-8(9(11,12)13)7-3-1-2-6(4-7)5-14/h1-4,8H,5,14H2
InChIKeyWYQDHVBBWWLNCK-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
3-(1,2,2,2-tetrafluoroethyl)aniline
CID 83854117
(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
[3-(2,3,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 150786633
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
3-[3-(aminomethyl)phenyl]sulfanyl-1,1,1-trifluoropropan-2-ol
CID 66354542
1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
CID 170817590
difluoromethane;phenylmethanamine
CID 156875485
[3-(3,3-difluorobutylsulfanyl)phenyl]methanamine
CID 84694932

Frequently Asked Questions

What is the IUPAC name of [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine?
The IUPAC name of [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine (CID 83856265) is [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine.
What is the SMILES notation for [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine?
The canonical SMILES for [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine is NCc1cccc(C(F)C(F)(F)F)c1.
What is the InChIKey of [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine?
The InChIKey is WYQDHVBBWWLNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c10-8(9(11,12)13)7-3-1-2-6(4-7)5-14/h1-4,8H,5,14H2.
What are the key properties of [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine?
[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine has a molecular weight of 207.17 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine is sourced from PubChem (CID 83856265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).