[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine

C10H10F3N — CID 130564880

IUPAC[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
SMILESC=C(c1cccc(CN)c1)C(F)(F)F
InChIInChI=1S/C10H10F3N/c1-7(10(11,12)13)9-4-2-3-8(5-9)6-14/h2-5H,1,6,14H2
InChIKeyIKPWBVCZYAFLCB-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.72
Rot. Bonds2

About [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine

[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine (PubChem CID 130564880) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
PubChem CID130564880
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine
SMILESC=C(c1cccc(CN)c1)C(F)(F)F
InChIInChI=1S/C10H10F3N/c1-7(10(11,12)13)9-4-2-3-8(5-9)6-14/h2-5H,1,6,14H2
InChIKeyIKPWBVCZYAFLCB-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 ≤ 500201.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-iodo-3-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 162348211
1-[3-(aminomethyl)phenyl]-2-fluoro-2-hydroxyethanone
CID 174940425
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289370
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
ethyl 3-(aminomethyl)benzoate
CID 15079215
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanol
CID 166445243
[3-[1-[[(E)-2-bromobut-2-enylidene]amino]ethenyl]phenyl]methanamine
CID 143940090
3-[3-(aminomethyl)phenyl]sulfanyl-1,1,1-trifluoropropan-2-ol
CID 66354542

Frequently Asked Questions

What is the IUPAC name of [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine?
The IUPAC name of [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine (CID 130564880) is [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine is C=C(c1cccc(CN)c1)C(F)(F)F.
What is the InChIKey of [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine?
The InChIKey is IKPWBVCZYAFLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-7(10(11,12)13)9-4-2-3-8(5-9)6-14/h2-5H,1,6,14H2.
What are the key properties of [3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine?
[3-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine has a molecular weight of 201.19 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-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanamine is sourced from PubChem (CID 130564880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).