(1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol

C14H18F3NO — CID 11747720

IUPAC(1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol
SMILESC=CCC(N[C@@H](C)[C@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h3-6,8-10,12-13,18-19H,1,7H2,2H3/t10-,12?,13-/m0/s1
InChIKeyFFGYLPSFJSHPKA-VLIRHVTKSA-N
MW273.30 g/mol
LogP3.21
Rot. Bonds6

About (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol

(1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol (PubChem CID 11747720) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol
PubChem CID11747720
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol
SMILESC=CCC(N[C@@H](C)[C@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h3-6,8-10,12-13,18-19H,1,7H2,2H3/t10-,12?,13-/m0/s1
InChIKeyFFGYLPSFJSHPKA-VLIRHVTKSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
2-methyl-1-phenylnon-8-en-1-ol
CID 107010040
2-ethoxy-1-phenylpent-4-en-1-ol
CID 12857067
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol?
The IUPAC name of (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol (CID 11747720) is (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol.
What is the SMILES notation for (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol?
The canonical SMILES for (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol is C=CCC(N[C@@H](C)[C@H](O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol?
The InChIKey is FFGYLPSFJSHPKA-VLIRHVTKSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h3-6,8-10,12-13,18-19H,1,7H2,2H3/t10-,12?,13-/m0/s1.
What are the key properties of (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol?
(1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-phenyl-2-(1,1,1-trifluoropent-4-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 11747720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).