(2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide

C14H17F3N2O2 — CID 162772534

IUPAC(2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide
SMILESC=CCC[C@@](OCc1ccccc1)(C(=O)NN)C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-2-3-9-13(12(20)19-18,14(15,16)17)21-10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10,18H2,(H,19,20)/t13-/m1/s1
InChIKeyIEAIMLTXINLKRQ-CYBMUJFWSA-N
MW302.30 g/mol
LogP2.46
Rot. Bonds7

About (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide

(2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide (PubChem CID 162772534) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide.

Molecular Properties

Compound Name(2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide
PubChem CID162772534
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide
SMILESC=CCC[C@@](OCc1ccccc1)(C(=O)NN)C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-2-3-9-13(12(20)19-18,14(15,16)17)21-10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10,18H2,(H,19,20)/t13-/m1/s1
InChIKeyIEAIMLTXINLKRQ-CYBMUJFWSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis((2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide);hydrochloride
CID 163534976
1-amino-3-phenylmethoxy-3-(trifluoromethyl)hept-6-en-2-one
CID 163507187
tert-butyl N-[[2-phenylmethoxy-2-(trifluoromethyl)hex-5-enoyl]amino]carbamate
CID 162772804
ethyl 2-phenylmethoxy-2-(trifluoromethyl)hex-5-enoate
CID 162772865
2-phenylmethoxy-2-(trifluoromethyl)hex-5-ene-1,1-diol
CID 170115292
tert-butyl N-[[(2R)-2-phenylmethoxy-2-(trifluoromethyl)pent-4-enoyl]amino]carbamate
CID 162772661
benzyl 3,3-dimethylhept-6-enoate
CID 158520959
benzyl pent-4-enoate;pent-4-enoic acid
CID 160968601
N-[2-(5-methyl-6-pent-4-enoxy-2-pyridinyl)-2-oxoethyl]-2-phenylmethoxy-2-(trifluoromethyl)pent-4-enamide
CID 163434714
tert-butyl N-[[(2R)-5-hydroxy-2-phenylmethoxy-2-(trifluoromethyl)pentanoyl]amino]carbamate
CID 162772727
methyl 2-[chloro(difluoro)methyl]-2-[phenylmethoxycarbonyl(prop-2-enyl)amino]hex-5-enoate
CID 10960403
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide?
The IUPAC name of (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide (CID 162772534) is (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide.
What is the SMILES notation for (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide?
The canonical SMILES for (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide is C=CCC[C@@](OCc1ccccc1)(C(=O)NN)C(F)(F)F.
What is the InChIKey of (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide?
The InChIKey is IEAIMLTXINLKRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-2-3-9-13(12(20)19-18,14(15,16)17)21-10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10,18H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide?
(2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide has a molecular weight of 302.30 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide is sourced from PubChem (CID 162772534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).