3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine

C12H12F3N — CID 43755356

IUPAC3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H12F3N/c1-2-8-16-11(9-12(13,14)15)10-6-4-3-5-7-10/h1,3-7,11,16H,8-9H2
InChIKeyNYNABVPEMFWUGV-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.90
Rot. Bonds4

About 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine

3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine (PubChem CID 43755356) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
PubChem CID43755356
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
SMILESC#CCNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H12F3N/c1-2-8-16-11(9-12(13,14)15)10-6-4-3-5-7-10/h1,3-7,11,16H,8-9H2
InChIKeyNYNABVPEMFWUGV-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-(3,3,3-trifluoro-1-phenylpropyl)hex-1-yn-3-amine
CID 106226313
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
3-ethynyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43755559
[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
CID 115454270
2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
CID 43788256
2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 65467800
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine (CID 43755356) is 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine is C#CCNC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine?
The InChIKey is NYNABVPEMFWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N/c1-2-8-16-11(9-12(13,14)15)10-6-4-3-5-7-10/h1,3-7,11,16H,8-9H2.
What are the key properties of 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine?
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 43755356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).